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159426-67-2 | 1,3-Dithiole-4-methanol, 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-
CAS No: 159426-67-2 Catalog No: AG001QOT MDL No:
Product Description
Catalog Number:
AG001QOT
Chemical Name:
1,3-Dithiole-4-methanol, 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-
CAS Number:
159426-67-2
Molecular Formula:
C9H10OS6
Molecular Weight:
326.5651
IUPAC Name:
[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
InChI:
InChI=1S/C9H10OS6/c1-11-6-7(12-2)16-9(15-6)8-13-4-5(3-10)14-8/h4,10H,3H2,1-2H3
InChI Key:
AIEWAOHEZPVLLX-UHFFFAOYSA-N
SMILES:
OCC1=CSC(=C2SC(=C(S2)SC)SC)S1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.906g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.538g/mol
Monoisotopic Mass:
325.906g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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