2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride

C8H11ClO2S — CID 67842906

IUPAC2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C8H10O2S.ClH/c1-8(2,7(9)10)6-4-3-5-11-6;/h3-5H,1-2H3,(H,9,10);1H
InChIKeyNTAFEQMWRSYFRV-UHFFFAOYSA-N
MW206.69 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride

2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride (PubChem CID 67842906) has the molecular formula C8H11ClO2S and a molecular weight of 206.69 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
PubChem CID67842906
Molecular FormulaC8H11ClO2S
Molecular Weight206.69 g/mol
Exact Mass206.02
IUPAC Name2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1cccs1.Cl
InChIInChI=1S/C8H10O2S.ClH/c1-8(2,7(9)10)6-4-3-5-11-6;/h3-5H,1-2H3,(H,9,10);1H
InChIKeyNTAFEQMWRSYFRV-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
CID 19968462
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride (CID 67842906) is 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride is CC(C)(C(=O)O)c1cccs1.Cl.
What is the InChIKey of 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride?
The InChIKey is NTAFEQMWRSYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.ClH/c1-8(2,7(9)10)6-4-3-5-11-6;/h3-5H,1-2H3,(H,9,10);1H.
What are the key properties of 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride?
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride has a molecular weight of 206.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 67842906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).