3-chloro-4-(2-methylpropyl)thiophene

C8H11ClS — CID 146177932

IUPAC3-chloro-4-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cscc1Cl
InChIInChI=1S/C8H11ClS/c1-6(2)3-7-4-10-5-8(7)9/h4-6H,3H2,1-2H3
InChIKeyLPRHSPIHKLZDCY-UHFFFAOYSA-N
MW174.70 g/mol
LogP3.60
Rot. Bonds2

About 3-chloro-4-(2-methylpropyl)thiophene

3-chloro-4-(2-methylpropyl)thiophene (PubChem CID 146177932) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is 3-chloro-4-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name3-chloro-4-(2-methylpropyl)thiophene
PubChem CID146177932
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name3-chloro-4-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cscc1Cl
InChIInChI=1S/C8H11ClS/c1-6(2)3-7-4-10-5-8(7)9/h4-6H,3H2,1-2H3
InChIKeyLPRHSPIHKLZDCY-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-(2-methylpropyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methylpropyl)thiophene?
The IUPAC name of 3-chloro-4-(2-methylpropyl)thiophene (CID 146177932) is 3-chloro-4-(2-methylpropyl)thiophene.
What is the SMILES notation for 3-chloro-4-(2-methylpropyl)thiophene?
The canonical SMILES for 3-chloro-4-(2-methylpropyl)thiophene is CC(C)Cc1cscc1Cl.
What is the InChIKey of 3-chloro-4-(2-methylpropyl)thiophene?
The InChIKey is LPRHSPIHKLZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClS/c1-6(2)3-7-4-10-5-8(7)9/h4-6H,3H2,1-2H3.
What are the key properties of 3-chloro-4-(2-methylpropyl)thiophene?
3-chloro-4-(2-methylpropyl)thiophene has a molecular weight of 174.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methylpropyl)thiophene is sourced from PubChem (CID 146177932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).