Basic information
- CAS
70015-60-0- Standard SMILES
N#CSc1ccc2nc(NC(NC=O)C(Cl)(Cl)Cl)sc2c1- InChIKey
WFGJFBYQAATRBA-UHFFFAOYSA-N- Molecular formula
- C11H7Cl3N4OS2
- Average molar mass
- 381.7 g/mol
- Monoisotopic mass
- 379.912686
Names & identifiers
- Preferred name
- [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
- IUPAC
- [2-[(2,2,2-trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
Names & synonyms
70015-60-0NSC327378DTXSID40318217AG-G-73205NSC-3273782-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl thiocyanate
Database identifiers
- CAS
70015-60-0- PubChem CID
- 331995
- DTXSID
DTXSID40318217
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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