| CAS Number | 947188-17-2 |
| Catalog Number | AG00IIH0 |
| Chemical Name | 2-(2-Chlorophenylthio)benzaldehyde |
| IUPAC Name | 2-(2-chlorophenyl)sulfanylbenzaldehyde |
| InChI | InChI=1S/C13H9ClOS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-9H |
| InChI Key | DBALTZCMRZOXTR-UHFFFAOYSA-N |
| MDL Number | MFCD11100903 |
| Molecular Formula | C13H9ClOS |
| Molecular Weight | 248.7280 |
| SMILES | ClC1=CC=CC=C1SC1=CC=CC=C1C=O |
| Synonyms | 2-(2-CHLOROPHENYLTHIO)BENZALDEHYDE,
947188-17-2,
2-((2-Chlorophenyl)thio)benzaldehyde,
SCHEMBL5323813,
CTK7I0075,
AR3452,
MFCD11100903,
ZINC35287570,
AKOS013115189,
AS-45611,
X-2124,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.724g/mol |
| Monoisotopic Mass | 248.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number