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132958-63-5 | Propanoic acid, 2-mercapto-, methyl ester, (S)- (9CI)
CAS No: 132958-63-5 Catalog No: AG0011FU MDL No:
Product Description
Catalog Number:
AG0011FU
Chemical Name:
Propanoic acid, 2-mercapto-, methyl ester, (S)- (9CI)
CAS Number:
132958-63-5
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
IUPAC Name:
methyl (2S)-2-sulfanylpropanoate
InChI:
InChI=1S/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3/t3-/m0/s1
InChI Key:
SNWKNPMDQONHKK-VKHMYHEASA-N
SMILES:
COC(=O)[C@@H](S)C
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
120.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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