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24687-42-1 | 1-Butanesulfonic acid, 4-mercapto-
CAS No: 24687-42-1 Catalog No: AG002P1F MDL No:
Product Description
Catalog Number:
AG002P1F
Chemical Name:
1-Butanesulfonic acid, 4-mercapto-
CAS Number:
24687-42-1
Molecular Formula:
C4H10O3S2
Molecular Weight:
170.2504
IUPAC Name:
4-sulfanylbutane-1-sulfonic acid
InChI:
InChI=1S/C4H10O3S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H,5,6,7)
InChI Key:
ISOQNEPBGIJCLU-UHFFFAOYSA-N
SMILES:
SCCCCS(=O)(=O)O
EC Number:
246-412-6
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.007g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.241g/mol
Monoisotopic Mass:
170.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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