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26476-56-2 | Propanethioic acid, O-methyl ester
CAS No: 26476-56-2 Catalog No: AG002TDN MDL No:MFCD08457828
Product Description
Catalog Number:
AG002TDN
Chemical Name:
Propanethioic acid, O-methyl ester
CAS Number:
26476-56-2
Molecular Formula:
C4H8OS
Molecular Weight:
104.1707
MDL Number:
MFCD08457828
IUPAC Name:
O-methyl propanethioate
InChI:
InChI=1S/C4H8OS/c1-3-4(6)5-2/h3H2,1-2H3
InChI Key:
RVEBJDGWKWKYBH-UHFFFAOYSA-N
SMILES:
CCC(=S)OC
Properties
Complexity:
51.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.03g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.167g/mol
Monoisotopic Mass:
104.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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