4-(3-chloropentyl)-2-methylthiophene

C10H15ClS — CID 65102068

IUPAC4-(3-chloropentyl)-2-methylthiophene
SMILESCCC(Cl)CCc1csc(C)c1
InChIInChI=1S/C10H15ClS/c1-3-10(11)5-4-9-6-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyBNUJJMSBVUCBJC-UHFFFAOYSA-N
MW202.75 g/mol
LogP4.01
Rot. Bonds4

About 4-(3-chloropentyl)-2-methylthiophene

4-(3-chloropentyl)-2-methylthiophene (PubChem CID 65102068) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is 4-(3-chloropentyl)-2-methylthiophene.

Molecular Properties

Compound Name4-(3-chloropentyl)-2-methylthiophene
PubChem CID65102068
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name4-(3-chloropentyl)-2-methylthiophene
SMILESCCC(Cl)CCc1csc(C)c1
InChIInChI=1S/C10H15ClS/c1-3-10(11)5-4-9-6-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyBNUJJMSBVUCBJC-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropentyl)-2-methylthiophene?
The IUPAC name of 4-(3-chloropentyl)-2-methylthiophene (CID 65102068) is 4-(3-chloropentyl)-2-methylthiophene.
What is the SMILES notation for 4-(3-chloropentyl)-2-methylthiophene?
The canonical SMILES for 4-(3-chloropentyl)-2-methylthiophene is CCC(Cl)CCc1csc(C)c1.
What is the InChIKey of 4-(3-chloropentyl)-2-methylthiophene?
The InChIKey is BNUJJMSBVUCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClS/c1-3-10(11)5-4-9-6-8(2)12-7-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 4-(3-chloropentyl)-2-methylthiophene?
4-(3-chloropentyl)-2-methylthiophene has a molecular weight of 202.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropentyl)-2-methylthiophene is sourced from PubChem (CID 65102068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).