| CAS Number | 13606-10-5 |
| Catalog Number | AG01BTZY(AGN-PC-0JU658) |
| Chemical Name | S-(4-Chlorophenyl) carbonochloridothioate |
| IUPAC Name | S-(4-chlorophenyl) chloromethanethioate |
| InChI | InChI=1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H |
| InChI Key | LCPSYCACCNXGDA-UHFFFAOYSA-N |
| MDL Number | MFCD00018806 |
| Molecular Formula | C7H4Cl2OS |
| Molecular Weight | 207.0771 |
| SMILES | O=C(Cl)SC1=CC=C(Cl)C=C1 |
| Synonyms | [(4-chlorophenyl)sulfanyl]carbonyl chloride,
13606-10-5,
S-(4-chlorophenyl) chloridothiocarbonate,
SCHEMBL1462546,
ZINC395095,
AKOS024319290,
MCULE-7159685976,
carbonochloridothioic acid, S-(4-chlorophenyl) ester,
FORMIC ACID,CHLORO,THIOLO,S-(4-CHLOROPHENYL) ESTER,
InChI=1/C7H4Cl2OS/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,
AC1LCUQE,
CID637671,
ZINC00395095,
S-(4-chlorophenyl) chloromethanethioate,
chloro-thioformic acid (4-chloro-phenyl)ester,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.935991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.08g/mol |
| Monoisotopic Mass | 205.935991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number