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Home > Thiazole > 1695948-60-7
1695948-60-7 | 2-acetyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
CAS No: 1695948-60-7 Catalog No: AG01BH73 MDL No:MFCD28139536
Product Description
Catalog Number:
AG01BH73
Chemical Name:
2-acetyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
CAS Number:
1695948-60-7
Molecular Formula:
C6H6ClNO3S2
Molecular Weight:
239.6997
MDL Number:
MFCD28139536
IUPAC Name:
2-acetyl-4-methyl-1,3-thiazole-5-sulfonyl chloride
InChI:
InChI=1S/C6H6ClNO3S2/c1-3-6(13(7,10)11)12-5(8-3)4(2)9/h1-2H3
InChI Key:
BXEXZWUUFGQCAJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc(c(s1)S(=O)(=O)Cl)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.688g/mol
Monoisotopic Mass:
238.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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