4-(3-methylthiophen-2-yl)butanoic acid

C9H12O2S — CID 23434076

IUPAC4-(3-methylthiophen-2-yl)butanoic acid
SMILESCc1ccsc1CCCC(=O)O
InChIInChI=1S/C9H12O2S/c1-7-5-6-12-8(7)3-2-4-9(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyNNFWSJKZFCQYAS-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.46
Rot. Bonds4

About 4-(3-methylthiophen-2-yl)butanoic acid

4-(3-methylthiophen-2-yl)butanoic acid (PubChem CID 23434076) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)butanoic acid
PubChem CID23434076
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name4-(3-methylthiophen-2-yl)butanoic acid
SMILESCc1ccsc1CCCC(=O)O
InChIInChI=1S/C9H12O2S/c1-7-5-6-12-8(7)3-2-4-9(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyNNFWSJKZFCQYAS-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylthiophen-2-yl)butanoic 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

Benzo[b]thiophene-3-acetic acid
CID 70799
4-(2-Thienyl)Butyric Acid
CID 78386
RP 66153
CID 132425
2-(Thiophen-2-ylmethyl)propanedioic acid
CID 236591
4-(2-Thienyl)butanoic acid methyl ester
CID 140766
5-(2-Thienyl)valeric acid
CID 152324
3-(2-Thienyl)propanoic acid
CID 703169
7-[2-(3-Phenyl-propyl)-thiophen-3-yl]-heptanoic acid
CID 15666577
7-[5-Methyl-2-(3-phenyl-propyl)-thiophen-3-yl]-heptanoic acid
CID 15666586
7-[3-(3-Phenyl-propyl)-thiophen-2-yl]-heptanoic acid
CID 15666603
3-[4-(2-Thiophen-2-ylethynyl)phenyl]propanoic acid
CID 54757624
3-[4-[2-(3-Methylthiophen-2-yl)ethynyl]phenyl]propanoic acid
CID 54757625

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)butanoic acid?
The IUPAC name of 4-(3-methylthiophen-2-yl)butanoic acid (CID 23434076) is 4-(3-methylthiophen-2-yl)butanoic acid.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)butanoic acid?
The canonical SMILES for 4-(3-methylthiophen-2-yl)butanoic acid is Cc1ccsc1CCCC(=O)O.
What is the InChIKey of 4-(3-methylthiophen-2-yl)butanoic acid?
The InChIKey is NNFWSJKZFCQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-7-5-6-12-8(7)3-2-4-9(10)11/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(3-methylthiophen-2-yl)butanoic acid?
4-(3-methylthiophen-2-yl)butanoic acid has a molecular weight of 184.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)butanoic acid is sourced from PubChem (CID 23434076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).