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188780-49-6 | 1,3-Dithiole-2-thione, 4-(diethoxymethyl)-5-(hydroxymethyl)-
CAS No: 188780-49-6 Catalog No: AG002HBJ MDL No:
Product Description
Catalog Number:
AG002HBJ
Chemical Name:
1,3-Dithiole-2-thione, 4-(diethoxymethyl)-5-(hydroxymethyl)-
CAS Number:
188780-49-6
Molecular Formula:
C9H14O3S3
Molecular Weight:
266.4007
IUPAC Name:
4-(diethoxymethyl)-5-(hydroxymethyl)-1,3-dithiole-2-thione
InChI:
InChI=1S/C9H14O3S3/c1-3-11-8(12-4-2)7-6(5-10)14-9(13)15-7/h8,10H,3-5H2,1-2H3
InChI Key:
NMRFGRKBBGRGMK-UHFFFAOYSA-N
SMILES:
CCOC(c1sc(=S)sc1CO)OCC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.388g/mol
Monoisotopic Mass:
266.011g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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