diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride

C22H17ClS2 — CID 172791723

IUPACdiphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
SMILES[Cl-].c1ccc([S+](c2ccccc2)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C22H17S2.ClH/c1-3-8-19(9-4-1)24(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-23-22;/h1-17H;1H/q+1;/p-1
InChIKeyPQSFMQVAMSHOQU-UHFFFAOYSA-M
MW380.97 g/mol
LogP3.51
Rot. Bonds4

About diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride

diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride (PubChem CID 172791723) has the molecular formula C22H17ClS2 and a molecular weight of 380.97 g/mol. Its IUPAC name is diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride.

Molecular Properties

Compound Namediphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
PubChem CID172791723
Molecular FormulaC22H17ClS2
Molecular Weight380.97 g/mol
Exact Mass380.05
IUPAC Namediphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
SMILES[Cl-].c1ccc([S+](c2ccccc2)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C22H17S2.ClH/c1-3-8-19(9-4-1)24(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-23-22;/h1-17H;1H/q+1;/p-1
InChIKeyPQSFMQVAMSHOQU-UHFFFAOYSA-M
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.97
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-diphenylphenyl)thiophene
CID 150825396
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
2-[4-(4-ethenylphenyl)phenyl]thiophene
CID 139982271
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
(4-thiophen-2-ylphenyl) acetate
CID 18387761
molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid
CID 159563818
4-thiophen-2-ylbenzoyl chloride
CID 158319353
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
2-hydroxy-5-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 102462555

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride?
The IUPAC name of diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride (CID 172791723) is diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride.
What is the SMILES notation for diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride?
The canonical SMILES for diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride is [Cl-].c1ccc([S+](c2ccccc2)c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride?
The InChIKey is PQSFMQVAMSHOQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17S2.ClH/c1-3-8-19(9-4-1)24(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-23-22;/h1-17H;1H/q+1;/p-1.
What are the key properties of diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride?
diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride has a molecular weight of 380.97 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride is sourced from PubChem (CID 172791723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).