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19788-49-9 | Propanoic acid, 2-mercapto-, ethyl ester
CAS No: 19788-49-9 Catalog No: AG002B4S MDL No:MFCD00040233
Product Description
Catalog Number:
AG002B4S
Chemical Name:
Propanoic acid, 2-mercapto-, ethyl ester
CAS Number:
19788-49-9
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD00040233
IUPAC Name:
ethyl 2-sulfanylpropanoate
InChI:
InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3
InChI Key:
LXXNWCFBZHKFPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S)C
EC Number:
243-314-5
FEMA Number:
3279
Properties
Complexity:
82.5
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:
1
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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