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190841-64-6 | [1,1'-Biphenyl]-2,2'-dithiol, 3,3'-dimethyl-
CAS No: 190841-64-6 Catalog No: AG002EVE MDL No:
Product Description
Catalog Number:
AG002EVE
Chemical Name:
[1,1'-Biphenyl]-2,2'-dithiol, 3,3'-dimethyl-
CAS Number:
190841-64-6
Molecular Formula:
C14H14S2
Molecular Weight:
246.3910
IUPAC Name:
2-methyl-6-(3-methyl-2-sulfanylphenyl)benzenethiol
InChI:
InChI=1S/C14H14S2/c1-9-5-3-7-11(13(9)15)12-8-4-6-10(2)14(12)16/h3-8,15-16H,1-2H3
InChI Key:
HNDCHLYDFBZPAV-UHFFFAOYSA-N
SMILES:
Sc1c(C)cccc1c1cccc(c1S)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.386g/mol
Monoisotopic Mass:
246.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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