(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
Basic information
- CAS
329693-11-0- Standard SMILES
Cn1cccc1/C=C(\C#N)C(N)=S- InChIKey
JONKKSIPODCYGA-FNORWQNLSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
- IUPAC
- (E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide
Names & synonyms
(2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enethioamide(E)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enethioamide329693-11-0MLS000779956CHEMBL1303993DTXSID901325072HMS2795F05STL323746AKOS003238386SMR000420121(E)-2-Cyano-3-(1-methyl-1H-pyrrol-2-yl)-thioacrylamide(E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enethioamide
Database identifiers
- CAS
329693-11-0- PubChem CID
- 679336
- DTXSID
DTXSID901325072- ChEMBL
CHEMBL1303993
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
Solubility28.1 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…