| CAS Number | 1261811-54-4 |
| Catalog Number | AG01ACPY(AGN-PC-0WO8GK) |
| Chemical Name | 4-Methylthiophene-3-carbonyl chloride |
| IUPAC Name | 4-methylthiophene-3-carbonyl chloride |
| InChI | InChI=1S/C6H5ClOS/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3 |
| InChI Key | SOEMAEIKZZXWBN-UHFFFAOYSA-N |
| MDL Number | MFCD18417772 |
| Molecular Formula | C6H5ClOS |
| Molecular Weight | 160.6213 |
| SMILES | CC1C(C(Cl)=O)=CSC=1 |
| Synonyms | 4-methylthiophene-3-carbonyl chloride,
1261811-54-4,
SCHEMBL15279708,
ZINC83119919,
AKOS017516233,
NE43792,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.615g/mol |
| Monoisotopic Mass | 159.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number