2-(2-ethylcyclohexyl)sulfanylacetic acid

C10H18O2S — CID 63862645

IUPAC2-(2-ethylcyclohexyl)sulfanylacetic acid
SMILESCCC1CCCCC1SCC(=O)O
InChIInChI=1S/C10H18O2S/c1-2-8-5-3-4-6-9(8)13-7-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyYFZRAUDOVUAPDB-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-ethylcyclohexyl)sulfanylacetic acid

2-(2-ethylcyclohexyl)sulfanylacetic acid (PubChem CID 63862645) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)sulfanylacetic acid
PubChem CID63862645
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-(2-ethylcyclohexyl)sulfanylacetic acid
SMILESCCC1CCCCC1SCC(=O)O
InChIInChI=1S/C10H18O2S/c1-2-8-5-3-4-6-9(8)13-7-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyYFZRAUDOVUAPDB-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;1,2-diethylcyclohexane
CID 70579518
2-(2-hydroxycyclohexyl)sulfanylacetic acid
CID 6611068
2-amino-4-(2-ethylcyclohexyl)sulfanylbutanoic acid
CID 63863409
1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
CID 66221451
3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
CID 66219569
(2S)-2-amino-3-(2-ethylcyclohexyl)sulfanyl-3-methylbutanoic acid
CID 106443067
1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
2-[(1R,2S)-2-(2-methylphenyl)cyclohexyl]sulfanylacetic acid
CID 125464126
2-(2-ethylcyclohexyl)sulfanylbenzoic acid
CID 63862824
2-[[4-(2-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 54955490
2-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]sulfanylacetic acid
CID 125464157
ethyl 2-(2-aminocycloheptyl)sulfanylacetate
CID 64614372

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)sulfanylacetic acid?
The IUPAC name of 2-(2-ethylcyclohexyl)sulfanylacetic acid (CID 63862645) is 2-(2-ethylcyclohexyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-ethylcyclohexyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-ethylcyclohexyl)sulfanylacetic acid is CCC1CCCCC1SCC(=O)O.
What is the InChIKey of 2-(2-ethylcyclohexyl)sulfanylacetic acid?
The InChIKey is YFZRAUDOVUAPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-8-5-3-4-6-9(8)13-7-10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(2-ethylcyclohexyl)sulfanylacetic acid?
2-(2-ethylcyclohexyl)sulfanylacetic acid has a molecular weight of 202.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)sulfanylacetic acid is sourced from PubChem (CID 63862645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).