| CAS Number | 754190-97-1 |
| Catalog Number | AG003MWO(AGN-PC-0018Y9) |
| Chemical Name | 5-methylthiophene-3-carbonyl chloride |
| IUPAC Name | 5-methylthiophene-3-carbonyl chloride |
| InChI | InChI=1S/C6H5ClOS/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3 |
| InChI Key | OQUPBCYHMQGLJO-UHFFFAOYSA-N |
| MDL Number | MFCD00161528 |
| Molecular Formula | C6H5ClOS |
| Molecular Weight | 160.6213 |
| SMILES | ClC(C1=CSC(C)=C1)=O |
| Synonyms | 5-METHYLTHIOPHENE-3-CARBONYL CHLORIDE,
754190-97-1,
3-Thiophenecarbonyl chloride, 5-methyl-,
SCHEMBL11001917,
DTXSID90559653,
ALBB-011311,
BBL014946,
MFCD12197866,
STL197355,
ZINC40451409,
AKOS005173244,
MCULE-5698540738,
FT-0683335,
Z-2406,
I09-2582,
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| 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
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Certificate of Analysis
Lot Number