2-methyl-2-thiophen-2-ylsulfanylpropanoic acid

C8H10O2S2 — CID 11492144

IUPAC2-methyl-2-thiophen-2-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1cccs1)C(=O)O
InChIInChI=1S/C8H10O2S2/c1-8(2,7(9)10)12-6-4-3-5-11-6/h3-5H,1-2H3,(H,9,10)
InChIKeyIFRRUBKOEKYOND-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid

2-methyl-2-thiophen-2-ylsulfanylpropanoic acid (PubChem CID 11492144) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-ylsulfanylpropanoic acid
PubChem CID11492144
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Name2-methyl-2-thiophen-2-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1cccs1)C(=O)O
InChIInChI=1S/C8H10O2S2/c1-8(2,7(9)10)12-6-4-3-5-11-6/h3-5H,1-2H3,(H,9,10)
InChIKeyIFRRUBKOEKYOND-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid (CID 11492144) is 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid is CC(C)(Sc1cccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid?
The InChIKey is IFRRUBKOEKYOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-8(2,7(9)10)12-6-4-3-5-11-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid?
2-methyl-2-thiophen-2-ylsulfanylpropanoic acid has a molecular weight of 202.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 11492144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).