P-Terphenyl-4,4''-dithiol

CAT: 0024-sc-236273Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-236273Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

174706-21-9

Chemical Information

p-Terphenyl-4,4''-dithiol

CAS Number	174706-21-9
PubChem CID	22137213
IUPAC Name	4-[4-(4-sulfanylphenyl)phenyl]benzenethiol
Molecular Formula	C18H14S2
Molecular Weight	294.4
XLogP	5.5
Topological Polar Surface Area	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	250

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S)C3=CC=C(C=C3)S

InChI

InChI=1S/C18H14S2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H

InChIKey

HSAKNFPXLQYFIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174706-21-9

CID: 22137213

Formula: C18H14S2

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	294.05369279
Monoisotopic Mass	294.05369279
Topological Polar Surface Area	2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-482455	4-Bromo-p-terphenyl
sc-486027	4,4''-Diiodo-p-terphenyl
sc-487631	4-Nitro-p-terphenyl
sc-233055	4,4''-Dibromo-p-terphenyl
sc-470252	4-Amino-p-terphenyl
sc-267791	4,4''-Diamino-p-terphenyl
sc-267792	4,4''-Dinitro-p-terphenyl
sc-228890B	P-Terphenyl-4,4''-dicarboxylic acid
sc-228890A	P-Terphenyl-4,4''-dicarboxylic acid
sc-228890C	P-Terphenyl-4,4''-dicarboxylic acid

Catalog	Name
OR55119-01	4,4''-Diiodo-p-terphenyl
FD62326-01	4,4''-Dibromo-p-terphenyl
TRC-T116700-100MG	[p-Terphenyl]-4,4''-dicarboxylic Acid
OR1043782-01	4-Cyano-4€-nonyl-p-terphenyl
OR1039062-01	P-Terphenyl-4-carboxylic acid
FB40981-01	Biphenyl-4,4'-dithiol
165805-01	P-Terphenyl
OR96688-01	Benzene-1,4-dithiol
291786-01	Toluene-3,4-dithiol
OR451300-01	1,4-Butane dithiol