Basic information
- CAS
93034-60-7- Standard SMILES
O=C(NNC(=S)Nc1ccccc1)c1ccc(Cl)cc1- InChIKey
JHNYJPGYEVHLSH-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3OS
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.0389609
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzoyl)-N-phenylhydrazinecarbothioamide
- IUPAC
- 1-[(4-chlorobenzoyl)amino]-3-phenylthiourea
Names & synonyms
2-(4-Chlorobenzoyl)-N-phenylhydrazinecarbothioamideRefChem:45726793034-60-7657-150-0STL164010AKOS003235470ST0123182-[(4-chlorophenyl)carbonyl]-N-phenylhydrazinecarbothioamide(4-chlorophenyl)-N-{[(phenylamino)thioxomethyl]amino}carboxamide
Database identifiers
- CAS
93034-60-7- PubChem CID
- 720654
- EC Number
- 657-150-0
- Nikkaji
- J2.096.151A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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