Basic information
- CAS
5351-77-9- Standard SMILES
NC(=S)NN=C1CCCCC1- InChIKey
GYRDZVHNPFBIST-UHFFFAOYSA-N- Molecular formula
- C7H13N3S
- Average molar mass
- 171.27 g/mol
- Monoisotopic mass
- 171.0830186
Names & identifiers
- Preferred name
- (Cyclohexylideneamino)thiourea
- IUPAC
- (cyclohexylideneamino)thiourea
- English name
- 1-(Cyclohexylideneamino)thiourea
- Molecular formula
- C7H13N3S
- Molecular weight
- 171.26
Names & synonyms
(cyclohexylideneamino)thiourea5351-77-92-cyclohexylidenehydrazinecarbothioamideCyclohexanone thiosemicarbazoneCyclohexanone, thiosemicarbazone1-(Cyclohexylideneamino)thioureaHydrazinecarbothioamide, 2-cyclohexylidene-2-Cyclohexylidenehydrazine-1-carbothioamideCHEMBL510328NSC-717MFCD001547971-Cyclohexylidenethiosemicarbazide
Show more names
amino[(cyclohexylideneazamethyl)amino]methane-1-thioneCyclohexanon-thiosemicarbazonThiosemicarbazonecyclohexanoneSCHEMBL9410855Z7DUY97A6NSC717SCHEMBL3776494Thiosemicarbazone, cyclohexanone
Database identifiers
- CAS
5351-77-9- PubChem CID
- 2829394
- DTXSID
DTXSID20385240- ChEMBL
CHEMBL510328- UNII
- 5Z7DUY97A6
- Nikkaji
- J102.369A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- FDA UNII
- 5 Z7DUY97A6 · 5Z7DUY97A6
Chemistry & industry
Suppliers4 total
上海林栎生物科技有限公司13761635123 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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