3-(4-chlorophenyl)-2-thiophen-2-ylthiophene

C14H9ClS2 — CID 172853479

IUPAC3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
SMILESClc1ccc(-c2ccsc2-c2cccs2)cc1
InChIInChI=1S/C14H9ClS2/c15-11-5-3-10(4-6-11)12-7-9-17-14(12)13-2-1-8-16-13/h1-9H
InChIKeyYJPPDNIKEHSBRT-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.80
Rot. Bonds2

About 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene

3-(4-chlorophenyl)-2-thiophen-2-ylthiophene (PubChem CID 172853479) has the molecular formula C14H9ClS2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
PubChem CID172853479
Molecular FormulaC14H9ClS2
Molecular Weight276.81 g/mol
Exact Mass275.98
IUPAC Name3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
SMILESClc1ccc(-c2ccsc2-c2cccs2)cc1
InChIInChI=1S/C14H9ClS2/c15-11-5-3-10(4-6-11)12-7-9-17-14(12)13-2-1-8-16-13/h1-9H
InChIKeyYJPPDNIKEHSBRT-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
1-[4-(2-thiophen-2-ylthiophen-3-yl)phenyl]piperazine;hydrochloride
CID 174964215
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
2-(benzenesulfinyl)-3-(4-chlorophenyl)thiophene
CID 69302667
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
2-(3,4-diphenylphenyl)thiophene
CID 150825396
3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine
CID 86226405
2-(4-chlorophenyl)-1,4-dioxido-3-thiophen-2-ylquinoxaline-1,4-diium
CID 172794960

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene?
The IUPAC name of 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene (CID 172853479) is 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene is Clc1ccc(-c2ccsc2-c2cccs2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene?
The InChIKey is YJPPDNIKEHSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClS2/c15-11-5-3-10(4-6-11)12-7-9-17-14(12)13-2-1-8-16-13/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene?
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene has a molecular weight of 276.81 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-thiophen-2-ylthiophene is sourced from PubChem (CID 172853479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).