2-chlorothiophene;2-methylthiophene

C9H9ClS2 — CID 67830690

IUPAC2-chlorothiophene;2-methylthiophene
SMILESCc1cccs1.Clc1cccs1
InChIInChI=1S/C5H6S.C4H3ClS/c1-5-3-2-4-6-5;5-4-2-1-3-6-4/h2-4H,1H3;1-3H
InChIKeyJFJDTOVJIXYPET-UHFFFAOYSA-N
MW216.76 g/mol
LogP4.46
Rot. Bonds

About 2-chlorothiophene;2-methylthiophene

2-chlorothiophene;2-methylthiophene (PubChem CID 67830690) has the molecular formula C9H9ClS2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 2-chlorothiophene;2-methylthiophene.

Molecular Properties

Compound Name2-chlorothiophene;2-methylthiophene
PubChem CID67830690
Molecular FormulaC9H9ClS2
Molecular Weight216.76 g/mol
Exact Mass215.98
IUPAC Name2-chlorothiophene;2-methylthiophene
SMILESCc1cccs1.Clc1cccs1
InChIInChI=1S/C5H6S.C4H3ClS/c1-5-3-2-4-6-5;5-4-2-1-3-6-4/h2-4H,1H3;1-3H
InChIKeyJFJDTOVJIXYPET-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chlorothiophene;2-methylthiophene?
The IUPAC name of 2-chlorothiophene;2-methylthiophene (CID 67830690) is 2-chlorothiophene;2-methylthiophene.
What is the SMILES notation for 2-chlorothiophene;2-methylthiophene?
The canonical SMILES for 2-chlorothiophene;2-methylthiophene is Cc1cccs1.Clc1cccs1.
What is the InChIKey of 2-chlorothiophene;2-methylthiophene?
The InChIKey is JFJDTOVJIXYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H3ClS/c1-5-3-2-4-6-5;5-4-2-1-3-6-4/h2-4H,1H3;1-3H.
What are the key properties of 2-chlorothiophene;2-methylthiophene?
2-chlorothiophene;2-methylthiophene has a molecular weight of 216.76 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorothiophene;2-methylthiophene is sourced from PubChem (CID 67830690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).