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10027-69-7 | 2-Propanesulfonothioic acid, S-(1-methylethyl) ester
CAS No: 10027-69-7 Catalog No: AG0001FT MDL No:
Product Description
Catalog Number:
AG0001FT
Chemical Name:
2-Propanesulfonothioic acid, S-(1-methylethyl) ester
CAS Number:
10027-69-7
Molecular Formula:
C6H14O2S2
Molecular Weight:
182.3042
IUPAC Name:
2-propan-2-ylsulfonylsulfanylpropane
InChI:
InChI=1S/C6H14O2S2/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3
InChI Key:
OZDMLIZXKUYGMR-UHFFFAOYSA-N
SMILES:
CC(SS(=O)(=O)C(C)C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.296g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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