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30547-09-2 | Cyclopentanesulfonothioic acid, S-methyl ester
CAS No: 30547-09-2 Catalog No: AG0030IA MDL No:
Product Description
Catalog Number:
AG0030IA
Chemical Name:
Cyclopentanesulfonothioic acid, S-methyl ester
CAS Number:
30547-09-2
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
IUPAC Name:
methylsulfanylsulfonylcyclopentane
InChI:
InChI=1S/C6H12O2S2/c1-9-10(7,8)6-4-2-3-5-6/h6H,2-5H2,1H3
InChI Key:
AZHPIEFFEUIUDV-UHFFFAOYSA-N
SMILES:
CSS(=O)(=O)C1CCCC1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.28g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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