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121955-52-0 | 1-Propene-1-sulfinothioic acid, S-1-propen-1-yl ester
CAS No: 121955-52-0 Catalog No: AG0016GH MDL No:
Product Description
Catalog Number:
AG0016GH
Chemical Name:
1-Propene-1-sulfinothioic acid, S-1-propen-1-yl ester
CAS Number:
121955-52-0
Molecular Formula:
C6H10OS2
Molecular Weight:
162.2730
IUPAC Name:
1-prop-1-enylsulfinylsulfanylprop-1-ene
InChI:
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-6H,1-2H3
InChI Key:
GYJUUWJKEUIYPF-UHFFFAOYSA-N
SMILES:
CC=CSS(=O)C=CC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.265g/mol
Monoisotopic Mass:
162.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1.5
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