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139131-30-9 | Benzenesulfonothioic acid, 4-methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] ester
CAS No: 139131-30-9 Catalog No: AG001ADA MDL No:
Product Description
Catalog Number:
AG001ADA
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] ester
CAS Number:
139131-30-9
Molecular Formula:
C15H25NO2S2
Molecular Weight:
315.4945
IUPAC Name:
N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine
InChI:
InChI=1S/C15H25NO2S2/c1-12(2)16(13(3)4)10-11-19-20(17,18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChI Key:
ORDGIHAKNCSFMX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)SCCN(C(C)C)C(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.49g/mol
Monoisotopic Mass:
315.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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