1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid

C10H12O2S — CID 84774040

IUPAC1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
SMILESCc1cscc1C1(C(=O)O)CCC1
InChIInChI=1S/C10H12O2S/c1-7-5-13-6-8(7)10(9(11)12)3-2-4-10/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyCXGYGAMPTRASIT-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid

1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 84774040) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
PubChem CID84774040
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
SMILESCc1cscc1C1(C(=O)O)CCC1
InChIInChI=1S/C10H12O2S/c1-7-5-13-6-8(7)10(9(11)12)3-2-4-10/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyCXGYGAMPTRASIT-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765
1-(4-fluoro-2-formyl-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344418
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid (CID 84774040) is 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid is Cc1cscc1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is CXGYGAMPTRASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-7-5-13-6-8(7)10(9(11)12)3-2-4-10/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid?
1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 196.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84774040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).