Hydrazinecarbothioamide, 2-(2-benzothiazolyl)-N-(4-bromophenyl)-
Basic information
- CAS
649561-00-2- Standard SMILES
S=C(NNc1nc2ccccc2s1)Nc1ccc(Br)cc1- InChIKey
PGXUFFTWGHJXRX-UHFFFAOYSA-N- Molecular formula
- C14H11BrN4S2
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 377.96085
Names & identifiers
- Preferred name
- Hydrazinecarbothioamide, 2-(2-benzothiazolyl)-N-(4-bromophenyl)-
- IUPAC
- 1-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)thiourea
Names & synonyms
649561-00-2Hydrazinecarbothioamide, 2-(2-benzothiazolyl)-N-(4-bromophenyl)-DTXSID904373412-(1,3-Benzothiazol-2-yl)-N-(4-bromophenyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
649561-00-2- PubChem CID
- 10249110
- DTXSID
DTXSID90437341
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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