N-(1-Methyl-2-pyrrolidinylidene)-2-thioxo-1-pyrrolidineethanethioamide
Basic information
- CAS
126647-15-2- Standard SMILES
CN1CCCC1=NC(=S)CN1CCCC1=S- InChIKey
XDOZNEFYNRZMJR-UHFFFAOYSA-N- Molecular formula
- C11H17N3S2
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.0863899
Names & identifiers
- Preferred name
- N-(1-Methyl-2-pyrrolidinylidene)-2-thioxo-1-pyrrolidineethanethioamide
- IUPAC
- N-(1-methylpyrrolidin-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Names & synonyms
126647-15-2BRN 4257521N-(1-Methyl-2-pyrrolidinylidene)-2-thioxo-1-pyrrolidineethanethioamide1-(N-(1-Methyl-2-pyrrolidene)thiocarbamidomethyl)pyrrolidine-2-thione1-Pyrrolidineethanethioamide, N-(1-methyl-2-pyrrolidinylidene)-2-thioxo-N-(1-methyl-2-pyrrolidinylidene)-2-(2-thioxo-1-pyrrolidinyl)ethanethioamide(E)-N-(1-methylpyrrolidin-2-ylidene)-2-(2-thioxopyrrolidin-1-yl)ethanethioamideCBMicro_019615SCHEMBL24158069CCG-7593STL563239AKOS030507240
Show more names
N-(1-methylpyrrolidin-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamideBIM-0019537.P001AH-262/10021002N-[(2E)-1-methylpyrrolidin-2-ylidene]-2-(2-thioxopyrrolidin-1-yl)ethanethioamide
Database identifiers
- CAS
126647-15-2- PubChem CID
- 756359
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
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Related reactions
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Compound notes
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