2-(1-Naphthoyl)-N-phenylhydrazinecarbothioamide
Basic information
- CAS
292644-10-1- Standard SMILES
O=C(NNC(=S)Nc1ccccc1)c1cccc2ccccc12- InChIKey
VPCPYVYNTCKWEG-UHFFFAOYSA-N- Molecular formula
- C18H15N3OS
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.09358328
Names & identifiers
- Preferred name
- 2-(1-Naphthoyl)-N-phenylhydrazinecarbothioamide
- IUPAC
- 1-(naphthalene-1-carbonylamino)-3-phenylthiourea
- English name
- N-[(phenylcarbamothioyl)amino]naphthalene-1-carboxamide
- Molecular formula
- C18H15N3OS
- Molecular weight
- 321.3962
Names & synonyms
2-(1-Naphthoyl)-N-phenylhydrazinecarbothioamideRefChem:451190292644-10-1657-260-9AKOS024275492ST012472naphthyl-N-{[(phenylamino)thioxomethyl]amino}carboxamideN-[(phenylcarbamothioyl)amino]naphthalene-1-carboxamide
Database identifiers
- CAS
292644-10-1- PubChem CID
- 720872
- EC Number
- 657-260-9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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