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125393-26-2 | BENZENESULFONYL CHLORIDE, 4-[(1-METHYLETHYL)THIO]-
CAS No: 125393-26-2 Catalog No: AG000NMD MDL No:
Product Description
Catalog Number:
AG000NMD
Chemical Name:
BENZENESULFONYL CHLORIDE, 4-[(1-METHYLETHYL)THIO]-
CAS Number:
125393-26-2
Molecular Formula:
C9H11ClO2S2
Molecular Weight:
250.7654
IUPAC Name:
4-propan-2-ylsulfanylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H11ClO2S2/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChI Key:
XQFPZAKYFHUEOH-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)S(=O)(=O)Cl)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.755g/mol
Monoisotopic Mass:
249.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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