2-(4-chlorothiophen-2-yl)-5-methylthiophene

C9H7ClS2 — CID 58778168

IUPAC2-(4-chlorothiophen-2-yl)-5-methylthiophene
SMILESCc1ccc(-c2cc(Cl)cs2)s1
InChIInChI=1S/C9H7ClS2/c1-6-2-3-8(12-6)9-4-7(10)5-11-9/h2-5H,1H3
InChIKeyFSGYDXMSQIIIID-UHFFFAOYSA-N
MW214.74 g/mol
LogP4.44
Rot. Bonds1

About 2-(4-chlorothiophen-2-yl)-5-methylthiophene

2-(4-chlorothiophen-2-yl)-5-methylthiophene (PubChem CID 58778168) has the molecular formula C9H7ClS2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-5-methylthiophene.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-5-methylthiophene
PubChem CID58778168
Molecular FormulaC9H7ClS2
Molecular Weight214.74 g/mol
Exact Mass213.97
IUPAC Name2-(4-chlorothiophen-2-yl)-5-methylthiophene
SMILESCc1ccc(-c2cc(Cl)cs2)s1
InChIInChI=1S/C9H7ClS2/c1-6-2-3-8(12-6)9-4-7(10)5-11-9/h2-5H,1H3
InChIKeyFSGYDXMSQIIIID-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-5-methylthiophene?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-5-methylthiophene (CID 58778168) is 2-(4-chlorothiophen-2-yl)-5-methylthiophene.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-5-methylthiophene?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-5-methylthiophene is Cc1ccc(-c2cc(Cl)cs2)s1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-5-methylthiophene?
The InChIKey is FSGYDXMSQIIIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClS2/c1-6-2-3-8(12-6)9-4-7(10)5-11-9/h2-5H,1H3.
What are the key properties of 2-(4-chlorothiophen-2-yl)-5-methylthiophene?
2-(4-chlorothiophen-2-yl)-5-methylthiophene has a molecular weight of 214.74 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-5-methylthiophene is sourced from PubChem (CID 58778168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).