2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene

C24H19ClO2S2 — CID 54332062

IUPAC2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C24H19ClO2S2/c1-26-19-9-3-16(4-10-19)22-15-23(17-5-11-20(27-2)12-6-17)29-24(22)28-21-13-7-18(25)8-14-21/h3-15H,1-2H3
InChIKeySZALRHYGKDXQCX-UHFFFAOYSA-N
MW439.00 g/mol
LogP7.90
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene

2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene (PubChem CID 54332062) has the molecular formula C24H19ClO2S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene
PubChem CID54332062
Molecular FormulaC24H19ClO2S2
Molecular Weight439.00 g/mol
Exact Mass438.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C24H19ClO2S2/c1-26-19-9-3-16(4-10-19)22-15-23(17-5-11-20(27-2)12-6-17)29-24(22)28-21-13-7-18(25)8-14-21/h3-15H,1-2H3
InChIKeySZALRHYGKDXQCX-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene
CID 54347611
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
CID 10961144
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
CID 4269272
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 102434842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene (CID 54332062) is 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene?
The InChIKey is SZALRHYGKDXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO2S2/c1-26-19-9-3-16(4-10-19)22-15-23(17-5-11-20(27-2)12-6-17)29-24(22)28-21-13-7-18(25)8-14-21/h3-15H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene?
2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene has a molecular weight of 439.00 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene is sourced from PubChem (CID 54332062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).