| CAS Number | 82834-48-8 |
| Catalog Number | AG00ID9K(AGN-PC-0WNOMT) |
| Chemical Name | 5-Bromo-2-methylthiophene-3-sulfonyl chloride |
| IUPAC Name | 5-bromo-2-methylthiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C5H4BrClO2S2/c1-3-4(11(7,8)9)2-5(6)10-3/h2H,1H3 |
| InChI Key | HKHREWTUTATPPJ-UHFFFAOYSA-N |
| MDL Number | MFCD21231989 |
| Molecular Formula | C5H4BrClO2S2 |
| Molecular Weight | 275.5711 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(Br)S1 |
| Synonyms | 5-BROMO-2-METHYLTHIOPHENE-3-SULFONYL CHLORIDE,
82834-48-8,
5-bromo-2-methylthiophen-3-sulphonyl chloride,
SCHEMBL2977321,
HKHREWTUTATPPJ-UHFFFAOYSA-N,
MFCD21231989,
AKOS014752856,
ZINC100640570,
AS-36513,
5-bromo-2-methyl-3-thiophenesulfonyl chloride,
X-1466,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.852g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.559g/mol |
| Monoisotopic Mass | 273.852g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number