Basic information
- CAS
4921-84-0- Standard SMILES
O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1- InChIKey
JYZHKZNALZZENK-UHFFFAOYSA-N- Molecular formula
- C18H14N2OS
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.08268425
Names & identifiers
- Preferred name
- Benzamide, N-[(1-naphthalenylamino)thioxomethyl]-
- IUPAC
- N-(naphthalen-1-ylcarbamothioyl)benzamide
- English name
- 1-Benzoyl-3-(1-naphtyl)thiourea
- Molecular formula
- C18H14N2OS
- Molecular weight
- 306.38
Names & synonyms
USAF K-1451Benzamide, N-((1-naphthalenylamino)thioxomethyl)-Benzoyl-alpha-naphthyl-thioureaBRN 2814099Benzamide, N-[(1-naphthalenylamino)thioxomethyl]-DTXSID1063649Urea, 1-benzoyl-3-(alpha-naphthyl)-2-thio-0-12-00-01242 (Beilstein Handbook Reference)RefChem:561509DTXCID4040682N-(naphthalen-1-ylcarbamothioyl)benzamide4921-84-0
Show more names
1-Benzoyl-3-(1-naphtyl)thioureaN-[(1-naphthylamino)carbonothioyl]benzamide
115567-50-51-BENZOYL-3-(NAPHTHALEN-1-YL)THIOUREAN-[(1-Naphthalenylamino)thioxomethyl]benzamideBenzamide, N-[(naphthalenylamino)thioxomethyl]- (9CI)n-(1-naphthylcarbamothioyl)benzamideN-benzoyl-N'-naphthyl thioureaSCHEMBL14162005JYZHKZNALZZENK-UHFFFAOYSA-N
Database identifiers
- CAS
4921-84-0- PubChem CID
- 701017
- DTXSID
DTXSID1063649- Nikkaji
- J49.082B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 173 °C · 173 °C
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.70(Predicted)
- EPA Substance Registry System
- Benzamide, N-[(1-naphthalenylamino)thioxomethyl]- (4921-84-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-[(1-naphthalenylamino)thioxomethyl]-: INACTIVE
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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