4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid

C11H16O2S2 — CID 82927723

IUPAC4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
SMILESCCC(CC)CSc1csc(C(=O)O)c1
InChIInChI=1S/C11H16O2S2/c1-3-8(4-2)6-14-9-5-10(11(12)13)15-7-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyBATZRUCTDQBABC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.97
Rot. Bonds6

About 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid

4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid (PubChem CID 82927723) has the molecular formula C11H16O2S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
PubChem CID82927723
Molecular FormulaC11H16O2S2
Molecular Weight244.38 g/mol
Exact Mass244.06
IUPAC Name4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
SMILESCCC(CC)CSc1csc(C(=O)O)c1
InChIInChI=1S/C11H16O2S2/c1-3-8(4-2)6-14-9-5-10(11(12)13)15-7-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyBATZRUCTDQBABC-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropylsulfanyl)thiophene-2-carboxylic acid
CID 79149154
4-(3,3-dimethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 79149069
4-prop-2-ynylsulfanylthiophene-2-carboxylic acid
CID 79150083
4-[(5-ethylthiophen-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150186
4-(2-bromoprop-2-enylsulfanyl)thiophene-2-carboxylic acid
CID 79149518
4-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79140151
4-[4-(diethylamino)-4-oxobutyl]sulfanylthiophene-2-carboxylic acid
CID 79140517
4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79132461
4-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150188
4-[(5-bromothiophen-3-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79139567
4-(2-pyrazol-1-ylethylsulfanyl)thiophene-2-carboxylic acid
CID 79140528
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149423

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid (CID 82927723) is 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid is CCC(CC)CSc1csc(C(=O)O)c1.
What is the InChIKey of 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid?
The InChIKey is BATZRUCTDQBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S2/c1-3-8(4-2)6-14-9-5-10(11(12)13)15-7-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid?
4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid has a molecular weight of 244.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 82927723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).