Basic information
- Standard SMILES
O=C(NNc1cccc(Br)c1)C1CCSCC1- InChIKey
IUNCXJSLGDSBEU-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2OS
- Average molar mass
- 315.23 g/mol
Names & identifiers
- Preferred name
- N'-(3-Bromophenyl)tetrahydro-2H-thiopyran-4-carbohydrazide
- IUPAC
- N'-(3-bromophenyl)thiane-4-carbohydrazide
Names & synonyms
SCHEMBL1233154IUNCXJSLGDSBEU-UHFFFAOYSA-NN'-(3-Bromophenyl)tetrahydro-2H-thiopyran-4-carbohydrazide
Database identifiers
- PubChem CID
- 66958508
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
1 records
Compound notes
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