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121955-53-1 | 1-Propene-1-sulfinothioic acid, methyl ester
CAS No: 121955-53-1 Catalog No: AG0016GG MDL No:
Product Description
Catalog Number:
AG0016GG
Chemical Name:
1-Propene-1-sulfinothioic acid, methyl ester
CAS Number:
121955-53-1
Molecular Formula:
C4H8OS2
Molecular Weight:
136.2357
IUPAC Name:
1-methylsulfanylsulfinylprop-1-ene
InChI:
InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3
InChI Key:
LXYFYPXBSIMFKX-UHFFFAOYSA-N
SMILES:
CC=CS(=S)OC
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.002g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.227g/mol
Monoisotopic Mass:
136.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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