Basic information
- CAS
13153-01-0- Standard SMILES
O=C(NNC(=S)Nc1ccccc1)c1ccccc1- InChIKey
YFIKTVJZVZMIMY-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.07793304
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Benzoyl-4-phenyl-3-thiosemicarbazide
- IUPAC
- 1-benzamido-3-phenylthiourea
- English name
- 1-Benzoyl-4-phenyl-3-thiosemicarbazide
- Molecular formula
- C14H13N3OS
- Molecular weight
- 271.34
Names & synonyms
1-benzoyl-4-phenyl-3-thiosemicarbazideRefChem:118309665-335-213153-01-02-benzoyl-n-phenylhydrazinecarbothioamide1-Benzoyl-4-phenylthiosemicarbazide1-benzamido-3-phenylthioureaN-[(phenylcarbamothioyl)amino]benzamide2-benzoyl-N-phenylhydrazine-1-carbothioamideMFCD00030080Benzoic acid, 2-((phenylamino)thioxomethyl)hydrazidephenyl-N-{[(phenylamino)thioxomethyl]amino}carboxamide
Show more names
Benzoic acid, 2-[(phenylamino)thioxomethyl]hydrazideSemicarbazide, 1-benzoyl-4-phenyl-3-thio-MLS000121053CHEMBL1323332SCHEMBL135476761-benzamido-3-phenyl-isothioureaDTXSID50157098HMS2314C23
Database identifiers
- CAS
13153-01-0- PubChem CID
- 735919
- DTXSID
DTXSID50157098- ChEMBL
CHEMBL1323332- EC Number
- 665-335-2
- Nikkaji
- J2.060.945A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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