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116381-62-5 | 2-Thiiranemethanesulfonic acid
CAS No: 116381-62-5 Catalog No: AG000CC9 MDL No:
Product Description
Catalog Number:
AG000CC9
Chemical Name:
2-Thiiranemethanesulfonic acid
CAS Number:
116381-62-5
Molecular Formula:
C3H6O3S2
Molecular Weight:
154.2079
IUPAC Name:
thiiran-2-ylmethanesulfonic acid
InChI:
InChI=1S/C3H6O3S2/c4-8(5,6)2-3-1-7-3/h3H,1-2H2,(H,4,5,6)
InChI Key:
SHOPDKUALBMKJH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CC1SC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.976g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.198g/mol
Monoisotopic Mass:
153.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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