Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide
Basic information
- CAS
77516-55-3- Standard SMILES
O=C(NNC(=S)NCCc1ccccc1)c1ccccc1- InChIKey
LJADESLPXPBZRR-UHFFFAOYSA-N- Molecular formula
- C16H17N3OS
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.10923335
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-benzamido-3-(2-phenylethyl)thiourea
Names & synonyms
77516-55-3Benzoic acid, 2-(((2-phenylethyl)amino)thioxomethyl)hydrazideZINC027846572-(phenylcarbonyl)-N-(2-phenylethyl)hydrazinecarbothioamideDTXSID10228218STK041248AKOS003655115NCGC00326319-01AB01321073-022-Benzoyl-N-(2-phenylethyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
77516-55-3- PubChem CID
- 3036802
- DTXSID
DTXSID10228218
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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