2-chloro-5-(2-methylbutyl)thiophene

C9H13ClS — CID 91073186

IUPAC2-chloro-5-(2-methylbutyl)thiophene
SMILESCCC(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClS/c1-3-7(2)6-8-4-5-9(10)11-8/h4-5,7H,3,6H2,1-2H3
InChIKeyZMAHYNZLJRIFJZ-UHFFFAOYSA-N
MW188.72 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-5-(2-methylbutyl)thiophene

2-chloro-5-(2-methylbutyl)thiophene (PubChem CID 91073186) has the molecular formula C9H13ClS and a molecular weight of 188.72 g/mol. Its IUPAC name is 2-chloro-5-(2-methylbutyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-methylbutyl)thiophene
PubChem CID91073186
Molecular FormulaC9H13ClS
Molecular Weight188.72 g/mol
Exact Mass188.04
IUPAC Name2-chloro-5-(2-methylbutyl)thiophene
SMILESCCC(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClS/c1-3-7(2)6-8-4-5-9(10)11-8/h4-5,7H,3,6H2,1-2H3
InChIKeyZMAHYNZLJRIFJZ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylbutyl)thiophene?
The IUPAC name of 2-chloro-5-(2-methylbutyl)thiophene (CID 91073186) is 2-chloro-5-(2-methylbutyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-methylbutyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-methylbutyl)thiophene is CCC(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-methylbutyl)thiophene?
The InChIKey is ZMAHYNZLJRIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClS/c1-3-7(2)6-8-4-5-9(10)11-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-chloro-5-(2-methylbutyl)thiophene?
2-chloro-5-(2-methylbutyl)thiophene has a molecular weight of 188.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylbutyl)thiophene is sourced from PubChem (CID 91073186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).