Sulfide, nitroso trityl
PubChem CID
95186
Structure
Molecular Formula
Synonyms
- Sulfide, nitroso trityl
- Trityl thionitrite
- S-Trityl thionitrite
- Nitroso trityl sulfide
- 6316-86-5
Molecular Weight
305.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-25
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
[nitrososulfanyl(diphenyl)methyl]benzene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C19H15NOS/c21-20-22-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YLEVRGODADSYBK-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H15NOS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Sulfide, nitroso trityl
- Trityl thionitrite
- S-Trityl thionitrite
- Nitroso trityl sulfide
- 6316-86-5
- Thionitrous acid (HNOS), S-(triphenylmethyl) ester
- [nitrososulfanyl(diphenyl)methyl]benzene
- EDT6XKN756
- NSC-22519
- Trityl thionitrite, Ph3CSNO
- NSC 22519
- BRN 2133826
- C19H15NOS
- trityl-s-nitrosothiol
- Ph3CSNO
- UNII-EDT6XKN756
- Nitroso-triphenylmethanethiol
- S-Nitroso-triphenylmethanethiol
- SCHEMBL4031910
- DTXSID80212503
- YLEVRGODADSYBK-UHFFFAOYSA-N
- NSC22519
- THIONITROUS ACID, S-TRITYL ESTER
- METHANETHIOL, TRIPHENYL-, NITRITE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
305.08743528 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
305.08743528 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
54.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
296
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YLEVRGODADSYBK-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Thionitrous acid (HNOS), S-(triphenylmethyl) esterhttps://commonchemistry.cas.org/detail?cas_rn=6316-86-5
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxSulfide, nitroso tritylhttps://comptox.epa.gov/dashboard/DTXSID80212503CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingTRITYL THIONITRITEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/EDT6XKN756
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemistry
- Springer Nature
- SpringerMaterials
- The Cambridge Structural Database
- WikidataS-nitrosotriphenylmethanethiolhttps://www.wikidata.org/wiki/Q83087646
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389102368https://pubchem.ncbi.nlm.nih.gov/substance/389102368
CONTENTS