2-thiophen-3-ylpropanoic acid;hydrochloride

C7H9ClO2S — CID 67842901

IUPAC2-thiophen-3-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1ccsc1.Cl
InChIInChI=1S/C7H8O2S.ClH/c1-5(7(8)9)6-2-3-10-4-6;/h2-5H,1H3,(H,8,9);1H
InChIKeyJMXWXTUYOYKYMT-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.36
Rot. Bonds2

About 2-thiophen-3-ylpropanoic acid;hydrochloride

2-thiophen-3-ylpropanoic acid;hydrochloride (PubChem CID 67842901) has the molecular formula C7H9ClO2S and a molecular weight of 192.67 g/mol. Its IUPAC name is 2-thiophen-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-thiophen-3-ylpropanoic acid;hydrochloride
PubChem CID67842901
Molecular FormulaC7H9ClO2S
Molecular Weight192.67 g/mol
Exact Mass192.00
IUPAC Name2-thiophen-3-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1ccsc1.Cl
InChIInChI=1S/C7H8O2S.ClH/c1-5(7(8)9)6-2-3-10-4-6;/h2-5H,1H3,(H,8,9);1H
InChIKeyJMXWXTUYOYKYMT-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
(2R)-2-bromo-2-thiophen-3-ylacetic acid
CID 124578230
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 119202682
(2S,3S)-3-methyl-2-(2-thiophen-3-ylpropanoylamino)pentanoic acid
CID 91644897
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 115731293
(1S)-1-thiophen-3-ylethanol
CID 11297979
2-phenylpropanoic acid;dihydrochloride
CID 162109025
1-thiophen-3-ylethanol
CID 12744375
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075
1-thiophen-3-ylethyl acetate
CID 59753762

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-thiophen-3-ylpropanoic acid;hydrochloride (CID 67842901) is 2-thiophen-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-thiophen-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-thiophen-3-ylpropanoic acid;hydrochloride is CC(C(=O)O)c1ccsc1.Cl.
What is the InChIKey of 2-thiophen-3-ylpropanoic acid;hydrochloride?
The InChIKey is JMXWXTUYOYKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.ClH/c1-5(7(8)9)6-2-3-10-4-6;/h2-5H,1H3,(H,8,9);1H.
What are the key properties of 2-thiophen-3-ylpropanoic acid;hydrochloride?
2-thiophen-3-ylpropanoic acid;hydrochloride has a molecular weight of 192.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 67842901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).