2-(2-hydroxycyclohexyl)sulfanylacetic acid

C8H14O3S — CID 6611068

IUPAC2-(2-hydroxycyclohexyl)sulfanylacetic acid
SMILESO=C(O)CSC1CCCCC1O
InChIInChI=1S/C8H14O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyJOIRHGBJDWSWNM-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-hydroxycyclohexyl)sulfanylacetic acid

2-(2-hydroxycyclohexyl)sulfanylacetic acid (PubChem CID 6611068) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)sulfanylacetic acid
PubChem CID6611068
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(2-hydroxycyclohexyl)sulfanylacetic acid
SMILESO=C(O)CSC1CCCCC1O
InChIInChI=1S/C8H14O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyJOIRHGBJDWSWNM-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)sulfanylacetic acid?
The IUPAC name of 2-(2-hydroxycyclohexyl)sulfanylacetic acid (CID 6611068) is 2-(2-hydroxycyclohexyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-hydroxycyclohexyl)sulfanylacetic acid is O=C(O)CSC1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)sulfanylacetic acid?
The InChIKey is JOIRHGBJDWSWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 2-(2-hydroxycyclohexyl)sulfanylacetic acid?
2-(2-hydroxycyclohexyl)sulfanylacetic acid has a molecular weight of 190.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)sulfanylacetic acid is sourced from PubChem (CID 6611068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).