N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide
Basic information
- CAS
126647-14-1- Standard SMILES
CC(=NC(=S)CN1CCCC1=S)N(C)C- InChIKey
PKSUINQQTRCQIK-UHFFFAOYSA-N- Molecular formula
- C10H17N3S2
- Average molar mass
- 243.4 g/mol
- Monoisotopic mass
- 243.0863899
Names & identifiers
- Preferred name
- N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide
- IUPAC
- N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Names & synonyms
BRN 4251283126647-14-1N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide1-Pyrrolidineethanethioamide, N-(1-(dimethylamino)ethylidene)-2-thioxo-1-((N,N-Dimethylamino-2-ethylidene)thiocarbamidomethyl)pyrrolidine-2-thioneAH-262/20428059N-[1-(dimethylamino)ethylidene]-2-(2-thioxo-1-pyrrolidinyl)ethanethioamide
Database identifiers
- CAS
126647-14-1- PubChem CID
- 3079892
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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