Bis(thiazol-5-ylmethyl) Carbonate
PubChem CID
69302386
Structure
Molecular Formula
Synonyms
- CNB7R3BW7P
- Bis(thiazol-5-ylmethyl) Carbonate
- 1370406-84-0
- Bis(thiazol-5-ylmethyl)carbonate
- UNII-CNB7R3BW7P
Molecular Weight
256.3 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2012-12-01
- Modify:2025-01-18
Chemical Structure Depiction
bis(1,3-thiazol-5-ylmethyl) carbonate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C9H8N2O3S2/c12-9(13-3-7-1-10-5-15-7)14-4-8-2-11-6-16-8/h1-2,5-6H,3-4H2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
ICFSKYCTIJFSSL-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=C(SC=N1)COC(=O)OCC2=CN=CS2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H8N2O3S2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
1370406-84-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.3 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
255.99763447 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
255.99763447 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
118 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
221
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
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.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ICFSKYCTIJFSSL-UHFFFAOYSA-N
- ChemIDplusBis(thiazol-5-ylmethyl)carbonatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=1370406840ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- 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#linkingBIS(THIAZOL-5-YLMETHYL)CARBONATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/CNB7R3BW7P
- PubChem
- PATENTSCOPE (WIPO)SID 395362229https://pubchem.ncbi.nlm.nih.gov/substance/395362229
CONTENTS