ethane;3-ethylthiophene-2-carboxylic acid

C9H14O2S — CID 142472678

IUPACethane;3-ethylthiophene-2-carboxylic acid
SMILESCC.CCc1ccsc1C(=O)O
InChIInChI=1S/C7H8O2S.C2H6/c1-2-5-3-4-10-6(5)7(8)9;1-2/h3-4H,2H2,1H3,(H,8,9);1-2H3
InChIKeyFMHAJAWVBISTPR-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.03
Rot. Bonds2

About ethane;3-ethylthiophene-2-carboxylic acid

ethane;3-ethylthiophene-2-carboxylic acid (PubChem CID 142472678) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is ethane;3-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;3-ethylthiophene-2-carboxylic acid
PubChem CID142472678
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Nameethane;3-ethylthiophene-2-carboxylic acid
SMILESCC.CCc1ccsc1C(=O)O
InChIInChI=1S/C7H8O2S.C2H6/c1-2-5-3-4-10-6(5)7(8)9;1-2/h3-4H,2H2,1H3,(H,8,9);1-2H3
InChIKeyFMHAJAWVBISTPR-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(diethylamino)propyl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 102994765
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-(3-methylbutyl)thiophene-2-carboxylic acid
CID 141207026
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
CID 63641034
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
3-[(2-methylpentan-3-ylamino)methyl]thiophene-2-carboxylic acid
CID 103244165
N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
CID 10683132
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
1-(3-ethylthiophen-2-yl)-2-methoxyethanone
CID 115783314
3-[(3-ethylpentan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103250747
3-[[cyclopentyl(ethyl)amino]methyl]thiophene-2-carboxylic acid
CID 55246285

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylthiophene-2-carboxylic acid?
The IUPAC name of ethane;3-ethylthiophene-2-carboxylic acid (CID 142472678) is ethane;3-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for ethane;3-ethylthiophene-2-carboxylic acid?
The canonical SMILES for ethane;3-ethylthiophene-2-carboxylic acid is CC.CCc1ccsc1C(=O)O.
What is the InChIKey of ethane;3-ethylthiophene-2-carboxylic acid?
The InChIKey is FMHAJAWVBISTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C2H6/c1-2-5-3-4-10-6(5)7(8)9;1-2/h3-4H,2H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;3-ethylthiophene-2-carboxylic acid?
ethane;3-ethylthiophene-2-carboxylic acid has a molecular weight of 186.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 142472678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).