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139131-28-5 | Benzenesulfonothioic acid, 4-methyl-, S-[2-(dimethylamino)ethyl] ester
CAS No: 139131-28-5 Catalog No: AG001ADB MDL No:
Product Description
Catalog Number:
AG001ADB
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-[2-(dimethylamino)ethyl] ester
CAS Number:
139131-28-5
Molecular Formula:
C11H17NO2S2
Molecular Weight:
259.3882
IUPAC Name:
N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanylethanamine
InChI:
InChI=1S/C11H17NO2S2/c1-10-4-6-11(7-5-10)16(13,14)15-9-8-12(2)3/h4-7H,8-9H2,1-3H3
InChI Key:
YMXGBWGBEZHMMX-UHFFFAOYSA-N
SMILES:
CN(CCSS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.382g/mol
Monoisotopic Mass:
259.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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