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14575-12-3 | Benzenesulfenyl chloride, 2,4,6-trimethyl-
CAS No: 14575-12-3 Catalog No: AG001DDG MDL No:
Product Description
Catalog Number:
AG001DDG
Chemical Name:
Benzenesulfenyl chloride, 2,4,6-trimethyl-
CAS Number:
14575-12-3
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
IUPAC Name:
(2,4,6-trimethylphenyl) thiohypochlorite
InChI:
InChI=1S/C9H11ClS/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5H,1-3H3
InChI Key:
YYZBEXJLHCTQJH-UHFFFAOYSA-N
SMILES:
ClSc1c(C)cc(cc1C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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