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Biphenyl-4,4'-dithiol

Catalog Number
ACM6954274-3
Product Name
Biphenyl-4,4'-dithiol
Structure
CAS
6954-27-4
Category
Self-Assembly Materials
Synonyms
[1,1'-Biphenyl]-4,4'-dithiol; 4,4'-Biphenyldithiol; 4,4'-Dimercaptodiphenyl; 4,4'-Diphenyldithiol
IUPAC Name
4-(4-sulfanylphenyl)benzenethiol
Molecular Weight
218.34
Molecular Formula
C12H10S2
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S)S
InChI
InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChI Key
VRPKUXAKHIINGG-UHFFFAOYSA-N
Purity
95%
Appearance
Yellow solid
Complexity
145
Covalently-Bonded Unit Count
1
EC Number
230-136-8
Exact Mass
218.022393g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
218.022393g/mol
NSC Number
38039
Rotatable Bond Count
1
UNII
DRF2J4LARU
XLogP3
4.6
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