4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene

C9H10Cl2S — CID 79426803

IUPAC4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene
SMILESCCC(=Cc1cc(Cl)cs1)CCl
InChIInChI=1S/C9H10Cl2S/c1-2-7(5-10)3-9-4-8(11)6-12-9/h3-4,6H,2,5H2,1H3
InChIKeyYRQHPBLKOSPPGP-UHFFFAOYSA-N
MW221.15 g/mol
LogP4.43
Rot. Bonds3

About 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene

4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene (PubChem CID 79426803) has the molecular formula C9H10Cl2S and a molecular weight of 221.15 g/mol. Its IUPAC name is 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene.

Molecular Properties

Compound Name4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene
PubChem CID79426803
Molecular FormulaC9H10Cl2S
Molecular Weight221.15 g/mol
Exact Mass219.99
IUPAC Name4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene
SMILESCCC(=Cc1cc(Cl)cs1)CCl
InChIInChI=1S/C9H10Cl2S/c1-2-7(5-10)3-9-4-8(11)6-12-9/h3-4,6H,2,5H2,1H3
InChIKeyYRQHPBLKOSPPGP-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 54.43
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-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene?
The IUPAC name of 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene (CID 79426803) is 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene.
What is the SMILES notation for 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene?
The canonical SMILES for 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene is CCC(=Cc1cc(Cl)cs1)CCl.
What is the InChIKey of 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene?
The InChIKey is YRQHPBLKOSPPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2S/c1-2-7(5-10)3-9-4-8(11)6-12-9/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene?
4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene has a molecular weight of 221.15 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene is sourced from PubChem (CID 79426803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).