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123972-87-2 | Carbonodithioic acid, O-methyl S-2-propyn-1-yl ester
CAS No: 123972-87-2 Catalog No: AG000LAS MDL No:
Product Description
Catalog Number:
AG000LAS
Chemical Name:
Carbonodithioic acid, O-methyl S-2-propyn-1-yl ester
CAS Number:
123972-87-2
Molecular Formula:
C5H6OS2
Molecular Weight:
146.2305
IUPAC Name:
O-methyl prop-2-ynylsulfanylmethanethioate
InChI:
InChI=1S/C5H6OS2/c1-3-4-8-5(7)6-2/h1H,4H2,2H3
InChI Key:
GYFHRMCHTMWERL-UHFFFAOYSA-N
SMILES:
COC(=S)SCC#C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.986g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.222g/mol
Monoisotopic Mass:
145.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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