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29392-46-9 | Methanethioic acid, O-ethyl ester (9CI)
CAS No: 29392-46-9 Catalog No: AG002Y9A MDL No:
Product Description
Catalog Number:
AG002Y9A
Chemical Name:
Methanethioic acid, O-ethyl ester (9CI)
CAS Number:
29392-46-9
Molecular Formula:
C3H6OS
Molecular Weight:
90.1441
IUPAC Name:
O-ethyl methanethioate
InChI:
InChI=1S/C3H6OS/c1-2-4-3-5/h3H,2H2,1H3
InChI Key:
VVWNENUJKRQDTB-UHFFFAOYSA-N
SMILES:
CCOC=S
Properties
Complexity:
28.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.014g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.14g/mol
Monoisotopic Mass:
90.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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