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138619-81-5 | Butanoic acid, 2-mercapto-3-methyl-
CAS No: 138619-81-5 Catalog No: AG0018W8 MDL No:MFCD14642015
Product Description
Catalog Number:
AG0018W8
Chemical Name:
Butanoic acid, 2-mercapto-3-methyl-
CAS Number:
138619-81-5
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD14642015
IUPAC Name:
3-methyl-2-sulfanylbutanoic acid
InChI:
InChI=1S/C5H10O2S/c1-3(2)4(8)5(6)7/h3-4,8H,1-2H3,(H,6,7)
InChI Key:
MTMDLUFMACHNQR-UHFFFAOYSA-N
SMILES:
SC(C(=O)O)C(C)C
Properties
Complexity:
90.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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