2-chloro-5-(4-chloro-3-methylbutyl)thiophene

C9H12Cl2S — CID 64665256

IUPAC2-chloro-5-(4-chloro-3-methylbutyl)thiophene
SMILESCC(CCl)CCc1ccc(Cl)s1
InChIInChI=1S/C9H12Cl2S/c1-7(6-10)2-3-8-4-5-9(11)12-8/h4-5,7H,2-3,6H2,1H3
InChIKeyROAXZXXNQHNTMB-UHFFFAOYSA-N
MW223.17 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-5-(4-chloro-3-methylbutyl)thiophene

2-chloro-5-(4-chloro-3-methylbutyl)thiophene (PubChem CID 64665256) has the molecular formula C9H12Cl2S and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-3-methylbutyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-3-methylbutyl)thiophene
PubChem CID64665256
Molecular FormulaC9H12Cl2S
Molecular Weight223.17 g/mol
Exact Mass222.00
IUPAC Name2-chloro-5-(4-chloro-3-methylbutyl)thiophene
SMILESCC(CCl)CCc1ccc(Cl)s1
InChIInChI=1S/C9H12Cl2S/c1-7(6-10)2-3-8-4-5-9(11)12-8/h4-5,7H,2-3,6H2,1H3
InChIKeyROAXZXXNQHNTMB-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloro-3-methylbutyl)thiophene?
The IUPAC name of 2-chloro-5-(4-chloro-3-methylbutyl)thiophene (CID 64665256) is 2-chloro-5-(4-chloro-3-methylbutyl)thiophene.
What is the SMILES notation for 2-chloro-5-(4-chloro-3-methylbutyl)thiophene?
The canonical SMILES for 2-chloro-5-(4-chloro-3-methylbutyl)thiophene is CC(CCl)CCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4-chloro-3-methylbutyl)thiophene?
The InChIKey is ROAXZXXNQHNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2S/c1-7(6-10)2-3-8-4-5-9(11)12-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-chloro-5-(4-chloro-3-methylbutyl)thiophene?
2-chloro-5-(4-chloro-3-methylbutyl)thiophene has a molecular weight of 223.17 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloro-3-methylbutyl)thiophene is sourced from PubChem (CID 64665256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).