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828936-69-2 | Propanoic acid, 3-mercapto-2-(methylthio)-
CAS No: 828936-69-2 Catalog No: AG004RO5 MDL No:
Product Description
Catalog Number:
AG004RO5
Chemical Name:
Propanoic acid, 3-mercapto-2-(methylthio)-
CAS Number:
828936-69-2
Molecular Formula:
C4H8O2S2
Molecular Weight:
152.2351
IUPAC Name:
2-methylsulfanyl-3-sulfanylpropanoic acid
InChI:
InChI=1S/C4H8O2S2/c1-8-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
InChI Key:
BMIRAIOUIMZJON-UHFFFAOYSA-N
SMILES:
CSC(C(=O)O)CS
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:
2
Isotope Atom Count:
0
Molecular Weight:
152.226g/mol
Monoisotopic Mass:
151.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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