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119152-81-7 | Ethanethioic acid, 2-(methylthio)-, S-ethyl ester
CAS No: 119152-81-7 Catalog No: AG000I9B MDL No:
Product Description
Catalog Number:
AG000I9B
Chemical Name:
Ethanethioic acid, 2-(methylthio)-, S-ethyl ester
CAS Number:
119152-81-7
Molecular Formula:
C5H10OS2
Molecular Weight:
150.2623
IUPAC Name:
S-ethyl 2-methylsulfanylethanethioate
InChI:
InChI=1S/C5H10OS2/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
InChI Key:
SQROSXWNNSGURE-UHFFFAOYSA-N
SMILES:
CSCC(=O)SCC
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.017g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.254g/mol
Monoisotopic Mass:
150.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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