1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-(2-methylphenyl)thiourea
Basic information
- CAS
62638-89-5- Standard SMILES
Cc1ccccc1NC(=S)NNC(=O)CSc1nc2ccccc2[nH]1- InChIKey
CJGLUXHTIYBGBU-UHFFFAOYSA-N- Molecular formula
- C17H17N5OS2
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.08745253
Names & identifiers
- Preferred name
- 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-(2-methylphenyl)thiourea
- IUPAC
- 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-(2-methylphenyl)thiourea
Names & synonyms
62638-89-5NSC2890831-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-(2-methylphenyl)thioureaDTXSID60398273NSC-2890832-{[(1H-1,3-Benzimidazol-2-yl)sulfanyl]acetyl}-N-(2-methylphenyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
62638-89-5- PubChem CID
- 3965435
- DTXSID
DTXSID60398273
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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