ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
Basic information
- CAS
72082-29-2- Standard SMILES
CCOC(=O)NC(=S)Nc1ccn(C)c1- InChIKey
NSZWPWUGCYWFET-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2S
- Average molar mass
- 227.29 g/mol
- Monoisotopic mass
- 227.07284784
Names & identifiers
- Preferred name
- ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
- IUPAC
- ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamate
Names & synonyms
NSC32803372082-29-2ethyl N-[(1-methylpyrrol-3-yl)carbamothioyl]carbamateEthyl [(1-methyl-1H-pyrrol-3-yl)carbamothioyl]carbamateDTXSID20398299NSC-328033DS-002162ethyl N-[(1-methylpyrrol-3-yl)thiocarbamoyl]carbamateCarbamic acid, [[(1-methyl-1H-pyrrol-3-yl)amino]thioxomethyl]-, ethyl ester
Database identifiers
- CAS
72082-29-2- PubChem CID
- 3969374
- DTXSID
DTXSID20398299
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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