9H-thioxanthene-9-carbohydrazide
Basic information
- CAS
1604-09-7- Standard SMILES
NNC(=O)C1c2ccccc2Sc2ccccc21- InChIKey
HWCFZVHBVZSUCS-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.06703418
Names & identifiers
- Preferred name
- 9H-thioxanthene-9-carbohydrazide
- IUPAC
- 9H-thioxanthene-9-carbohydrazide
Names & synonyms
9H-thioxanthene-9-carbohydrazide9H-Thioxanthene-9-carboxylic acid, hydrazideOprea1_191384Oprea1_315027DTXSID701256192AKOS0006051151604-09-7SR-01000358367SR-01000358367-1
Database identifiers
- CAS
1604-09-7- PubChem CID
- 804501
- DTXSID
DTXSID701256192
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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