2-Thioxo-1-pyrrolidinethioacetamide
Basic information
- CAS
117947-07-6- Standard SMILES
NC(=S)CN1CCCC1=S- InChIKey
FVNHMHXOHPFMNY-UHFFFAOYSA-N- Molecular formula
- C6H10N2S2
- Average molar mass
- 174.3 g/mol
- Monoisotopic mass
- 174.02854067
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Thioxo-1-pyrrolidinethioacetamide
- IUPAC
- 2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
- English name
- 2-thioxo-1-pyrrolidinethioacetamide
- Molecular formula
- C6H10N2S2
- Molecular weight
- 174.29
Names & synonyms
2-Thioxo-1-pyrrolidinethioacetamide117947-07-6DTXSID501519702-thio-1-pyrrolidine-thio-acetamidethiothioRefChem:89481DTXCID6074461BRN 42923912-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide2-Thioxo-1-pyrrolidineethanethioamide1-Thiocarbamoylmethylpyrrolidine-2-thione1-Pyrrolidineethanethioamide, 2-thioxo-
Show more names
SCHEMBL10336077AKOS0062737221-(thiocarbamoylmethyl) pyrrolidine-2-thione(2-Sulfanylidenepyrrolidin-1-yl)ethanethioamide
Database identifiers
- CAS
117947-07-6- PubChem CID
- 667665
- DTXSID
DTXSID50151970
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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