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121955-59-7 | Benzenesulfinothioic acid, 4-methyl-, 4-chlorophenyl ester
CAS No: 121955-59-7 Catalog No: AG0016GF MDL No:
Product Description
Catalog Number:
AG0016GF
Chemical Name:
Benzenesulfinothioic acid, 4-methyl-, 4-chlorophenyl ester
CAS Number:
121955-59-7
Molecular Formula:
C13H11ClOS2
Molecular Weight:
282.8088
IUPAC Name:
1-(4-chlorophenyl)sulfanylsulfinyl-4-methylbenzene
InChI:
InChI=1S/C13H11ClOS2/c1-10-2-8-13(9-3-10)17(15)16-12-6-4-11(14)5-7-12/h2-9H,1H3
InChI Key:
LNCQCGJEVYGIQM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=S)Oc1ccc(cc1)Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.8g/mol
Monoisotopic Mass:
281.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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