4-(chloromethyl)-2-(2-methylpropyl)thiophene

C9H13ClS — CID 10465098

IUPAC4-(chloromethyl)-2-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cc(CCl)cs1
InChIInChI=1S/C9H13ClS/c1-7(2)3-9-4-8(5-10)6-11-9/h4,6-7H,3,5H2,1-2H3
InChIKeyYNXDNXFOLMKAJN-UHFFFAOYSA-N
MW188.72 g/mol
LogP3.69
Rot. Bonds3

About 4-(chloromethyl)-2-(2-methylpropyl)thiophene

4-(chloromethyl)-2-(2-methylpropyl)thiophene (PubChem CID 10465098) has the molecular formula C9H13ClS and a molecular weight of 188.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-methylpropyl)thiophene
PubChem CID10465098
Molecular FormulaC9H13ClS
Molecular Weight188.72 g/mol
Exact Mass188.04
IUPAC Name4-(chloromethyl)-2-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cc(CCl)cs1
InChIInChI=1S/C9H13ClS/c1-7(2)3-9-4-8(5-10)6-11-9/h4,6-7H,3,5H2,1-2H3
InChIKeyYNXDNXFOLMKAJN-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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-(chloromethyl)-2-(2-methylpropyl)thiophene?
The IUPAC name of 4-(chloromethyl)-2-(2-methylpropyl)thiophene (CID 10465098) is 4-(chloromethyl)-2-(2-methylpropyl)thiophene.
What is the SMILES notation for 4-(chloromethyl)-2-(2-methylpropyl)thiophene?
The canonical SMILES for 4-(chloromethyl)-2-(2-methylpropyl)thiophene is CC(C)Cc1cc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2-methylpropyl)thiophene?
The InChIKey is YNXDNXFOLMKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClS/c1-7(2)3-9-4-8(5-10)6-11-9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2-methylpropyl)thiophene?
4-(chloromethyl)-2-(2-methylpropyl)thiophene has a molecular weight of 188.72 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-methylpropyl)thiophene is sourced from PubChem (CID 10465098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).