3-chloro-4-methyl-2-propan-2-ylthiophene

C8H11ClS — CID 58718163

IUPAC3-chloro-4-methyl-2-propan-2-ylthiophene
SMILESCc1csc(C(C)C)c1Cl
InChIInChI=1S/C8H11ClS/c1-5(2)8-7(9)6(3)4-10-8/h4-5H,1-3H3
InChIKeySUQIYIDKQGQUNF-UHFFFAOYSA-N
MW174.70 g/mol
LogP3.83
Rot. Bonds1

About 3-chloro-4-methyl-2-propan-2-ylthiophene

3-chloro-4-methyl-2-propan-2-ylthiophene (PubChem CID 58718163) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-chloro-4-methyl-2-propan-2-ylthiophene
PubChem CID58718163
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name3-chloro-4-methyl-2-propan-2-ylthiophene
SMILESCc1csc(C(C)C)c1Cl
InChIInChI=1S/C8H11ClS/c1-5(2)8-7(9)6(3)4-10-8/h4-5H,1-3H3
InChIKeySUQIYIDKQGQUNF-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-fluoro-2-propan-2-ylthiophene
CID 146392778
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
CID 103404648
3-chloro-2-fluoro-4-methylthiophene
CID 138494994
1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
CID 103406500
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 103406780
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-propan-2-ylthiophene?
The IUPAC name of 3-chloro-4-methyl-2-propan-2-ylthiophene (CID 58718163) is 3-chloro-4-methyl-2-propan-2-ylthiophene.
What is the SMILES notation for 3-chloro-4-methyl-2-propan-2-ylthiophene?
The canonical SMILES for 3-chloro-4-methyl-2-propan-2-ylthiophene is Cc1csc(C(C)C)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-2-propan-2-ylthiophene?
The InChIKey is SUQIYIDKQGQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClS/c1-5(2)8-7(9)6(3)4-10-8/h4-5H,1-3H3.
What are the key properties of 3-chloro-4-methyl-2-propan-2-ylthiophene?
3-chloro-4-methyl-2-propan-2-ylthiophene has a molecular weight of 174.70 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-propan-2-ylthiophene is sourced from PubChem (CID 58718163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).