2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene

C20H12Cl2S4 — CID 151082316

IUPAC2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
SMILESClc1ccc(SSc2ccc(Cl)cc2-c2cccs2)c(-c2cccs2)c1
InChIInChI=1S/C20H12Cl2S4/c21-13-5-7-19(15(11-13)17-3-1-9-23-17)25-26-20-8-6-14(22)12-16(20)18-4-2-10-24-18/h1-12H
InChIKeyMKJQXSAUPAWMDW-UHFFFAOYSA-N
MW451.49 g/mol
LogP9.25
Rot. Bonds5

About 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene

2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene (PubChem CID 151082316) has the molecular formula C20H12Cl2S4 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
PubChem CID151082316
Molecular FormulaC20H12Cl2S4
Molecular Weight451.49 g/mol
Exact Mass449.92
IUPAC Name2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
SMILESClc1ccc(SSc2ccc(Cl)cc2-c2cccs2)c(-c2cccs2)c1
InChIInChI=1S/C20H12Cl2S4/c21-13-5-7-19(15(11-13)17-3-1-9-23-17)25-26-20-8-6-14(22)12-16(20)18-4-2-10-24-18/h1-12H
InChIKeyMKJQXSAUPAWMDW-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-carboxy-2-thiophen-2-ylphenyl)disulfanyl]-3-thiophen-2-ylbenzoic acid
CID 150011049
CID 163579516
CID 163579516
2-[2-(methyldisulfanyl)phenyl]thiophene
CID 160776231
2-(2,4-dichlorophenyl)sulfanylthiophene
CID 175549844
1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
CID 173148165
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
CID 91127273
3-(2,5-dichlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 63548676
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
4-chloro-3-thiophen-2-ylaniline
CID 61317798
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(2,4-dimethylphenyl)thiophene
CID 12781163

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene?
The IUPAC name of 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene (CID 151082316) is 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene.
What is the SMILES notation for 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene?
The canonical SMILES for 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene is Clc1ccc(SSc2ccc(Cl)cc2-c2cccs2)c(-c2cccs2)c1.
What is the InChIKey of 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene?
The InChIKey is MKJQXSAUPAWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2S4/c21-13-5-7-19(15(11-13)17-3-1-9-23-17)25-26-20-8-6-14(22)12-16(20)18-4-2-10-24-18/h1-12H.
What are the key properties of 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene?
2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene has a molecular weight of 451.49 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene is sourced from PubChem (CID 151082316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).