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126660-83-1 | Butanoic acid, 2,4-dimercapto-
CAS No: 126660-83-1 Catalog No: AG000T1O MDL No:
Product Description
Catalog Number:
AG000T1O
Chemical Name:
Butanoic acid, 2,4-dimercapto-
CAS Number:
126660-83-1
Molecular Formula:
C4H8O2S2
Molecular Weight:
152.2351
IUPAC Name:
2,4-bis(sulfanyl)butanoic acid
InChI:
InChI=1S/C4H8O2S2/c5-4(6)3(8)1-2-7/h3,7-8H,1-2H2,(H,5,6)
InChI Key:
PVERQJVCDFCIDS-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCS)S
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.997g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.226g/mol
Monoisotopic Mass:
151.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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