Basic information
- CAS
876154-03-9- Standard SMILES
N#Cc1ccsc1NC(=O)CSc1nncs1- InChIKey
BVDIVRHFGIGDCM-UHFFFAOYSA-N- Molecular formula
- C9H6N4OS3
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 281.97037435
Names & identifiers
- Preferred name
- N-(3-cyanothiophen-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
- IUPAC
- N-(3-cyanothiophen-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
Names & synonyms
N-(3-cyanothiophen-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamideMLS002251598CHEMBL1734013DTXSID101329270HMS3058K10AKOS007967432876154-03-9SMR001313987Z25106806N-(3-Cyanothiophen-2-yl)-2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
876154-03-9- PubChem CID
- 2532005
- DTXSID
DTXSID101329270- ChEMBL
CHEMBL1734013
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Solubility42.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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