Basic information
- CAS
5361-23-9- Standard SMILES
O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1- InChIKey
JBJRNOQXYWLBNF-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O3S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0131401
Names & identifiers
- Preferred name
- 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide
- IUPAC
- 4-chloro-N-[(3-nitrophenyl)carbamothioyl]benzamide
- English name
- AKOS BBS-00005670
- Molecular formula
- C11H13N5
- Molecular weight
- 215.25
Names & synonyms
DTXSID90968387AKOS000348433ST501827604-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide(4-chlorophenyl)-N-{[(3-nitrophenyl)amino]thioxomethyl}carboxamide4-Chloro-N-{[(3-nitrophenyl)imino](sulfanyl)methyl}benzene-1-carboximidic acidASISCHEM N46211AKOS BBS-000056701-(4,8-Dimethylquinazolin-2-yl)guanidine2-(4,8-dimethylquinazolin-2-yl)guanidine2-(4,8-dimethyl-2-quinazolinyl)guanidineN-(4,8-Dimethylquinazolin-2-yl)guanidine
Show more names
Guanidine, N-(4,8-dimethyl-2-quinazolinyl)-
Database identifiers
- CAS
5361-23-9- PubChem CID
- 692115
- DTXSID
DTXSID90968387
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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