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87135-93-1 | Carbonotrithioic acid, mono(2-hydroxyethyl) ester
CAS No: 87135-93-1 Catalog No: AG004OF0 MDL No:
Product Description
Catalog Number:
AG004OF0
Chemical Name:
Carbonotrithioic acid, mono(2-hydroxyethyl) ester
CAS Number:
87135-93-1
Molecular Formula:
C3H5OS3-
Molecular Weight:
153.2662
IUPAC Name:
2-hydroxyethylsulfanylmethanedithioate
InChI:
InChI=1S/C3H6OS3/c4-1-2-7-3(5)6/h4H,1-2H2,(H,5,6)/p-1
InChI Key:
QHMZMQCSRXWCON-UHFFFAOYSA-M
SMILES:
[S-]C(=S)SCCO
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.95g/mol
Formal Charge:
-1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.252g/mol
Monoisotopic Mass:
152.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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