Prolinedithiocarbamate
PubChem CID
44146628
Structure
Molecular Formula
Synonyms
- Proline dithiocarbamate
- UNII-34DI3RWH1A
- 34DI3RWH1A
- CCRIS 6858
- 7250-31-9
Molecular Weight
208.3 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2009-08-20
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
carbamodithioic acid;(2S)-pyrrolidine-2-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C5H9NO2.CH3NS2/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H3,2,3,4)/t4-;/m0./s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SDHWCDDSZTZOQC-WCCKRBBISA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1C[C@H](NC1)C(=O)O.C(=S)(N)S
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H12N2O2S2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
7250-31-9
- PDTC
- proline dithiocarbamate
- prolinedithiocarbamate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
208.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
208.03401998 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
208.03401998 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
108 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
136
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
2
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.
Same Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Antineoplastic Agents
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
Antioxidants
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SDHWCDDSZTZOQC-WCCKRBBISA-N
- ChemIDplusProlinedithiocarbamatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0007250319ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxProline dithiocarbamatehttps://comptox.epa.gov/dashboard/DTXSID90222810CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NCI Thesaurus (NCIt)LICENSEUnless 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-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- WikidataProline dithiocarbamatehttps://www.wikidata.org/wiki/Q83101147
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlprolinedithiocarbamatehttps://www.ncbi.nlm.nih.gov/mesh/67066229Antineoplastic Agentshttps://www.ncbi.nlm.nih.gov/mesh/68000970Antioxidantshttps://www.ncbi.nlm.nih.gov/mesh/68000975
- PATENTSCOPE (WIPO)SID 389219168https://pubchem.ncbi.nlm.nih.gov/substance/389219168
CONTENTS