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2935-90-2 | Propanoic acid, 3-mercapto-, methyl ester
CAS No: 2935-90-2 Catalog No: AG002Y4I MDL No:MFCD00004895
Product Description
Catalog Number:
AG002Y4I
Chemical Name:
Propanoic acid, 3-mercapto-, methyl ester
CAS Number:
2935-90-2
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
MDL Number:
MFCD00004895
IUPAC Name:
methyl 3-sulfanylpropanoate
InChI:
InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChI Key:
LDTLDBDUBGAEDT-UHFFFAOYSA-N
SMILES:
COC(=O)CCS
EC Number:
220-912-4
UNII:
V920F0BCRZ
NSC Number:
137814
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Identification of new strawberry sulfur volatiles and changes during maturation. | Journal of agricultural and food chemistry 20110223 |
| Amphiphilic polymethacrylate derivatives as antimicrobial agents. | Journal of the American Chemical Society 20050330 |
| L-methionine degradation potentialities of cheese-ripening microorganisms. | The Journal of dairy research 20011101 |
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