Basic information
- CAS
50508-65-1- Standard SMILES
Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C- InChIKey
LERBRJLVKFXYFJ-UHFFFAOYSA-N- Molecular formula
- C13H12ClNOS
- Average molar mass
- 265.76 g/mol
- Monoisotopic mass
- 265.0328129
Names & identifiers
- Preferred name
- (2-Amino-4,5-dimethylthiophen-3-yl)(2-chlorophenyl)methanone
- IUPAC
- (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
- English name
- 2-AMino-3-(2-chlorobenzoyl)-4,5-diMethylthiophene
- Molecular formula
- C13H12ClNOS
- Molecular weight
- 265.75848
Names & synonyms
(2-amino-4,5-dimethylthiophen-3-yl)(2-chlorophenyl)methanone50508-65-1ASN 04364381HMS2634E23Oprea1_020436Oprea1_564800MLS000688772SCHEMBL8319118CHEMBL1350375DTXSID10357678HMS3364D07MFCD03118423
Show more names
Etizolam Impurity 112-AMino-3-(2-chlorobenzoyl)-4,5-diMethylthiophene
SMR000285851SY403773
Database identifiers
- CAS
50508-65-1- PubChem CID
- 859637
- DTXSID
DTXSID10357678- ChEMBL
CHEMBL1350375
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Chemistry & industry
Suppliers2 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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