ethylsulfanylcyclohexane;hydrate

C8H18OS — CID 154657680

IUPACethylsulfanylcyclohexane;hydrate
SMILESCCSC1CCCCC1.O
InChIInChI=1S/C8H16S.H2O/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H2
InChIKeyAUUKTZFVOUFQTJ-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.25
Rot. Bonds2

About ethylsulfanylcyclohexane;hydrate

ethylsulfanylcyclohexane;hydrate (PubChem CID 154657680) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is ethylsulfanylcyclohexane;hydrate.

Molecular Properties

Compound Nameethylsulfanylcyclohexane;hydrate
PubChem CID154657680
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Nameethylsulfanylcyclohexane;hydrate
SMILESCCSC1CCCCC1.O
InChIInChI=1S/C8H16S.H2O/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H2
InChIKeyAUUKTZFVOUFQTJ-UHFFFAOYSA-N
XLogP2.25
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethylsulfanylcycloheptane
CID 67666697
propylsulfanylcyclopentane
CID 534899
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
butylsulfanylcycloheptane
CID 14970942
octylsulfanylcycloheptane
CID 70441156
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
cyclohexylsulfanylmethanamine
CID 18729999
methylsulfanylmethylsulfanylcyclopentane
CID 126997414
1-ethylsulfanyl-3-methylidenecyclohexane
CID 86130259
3-ethylsulfanylcyclohexan-1-one
CID 11815998
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylcyclohexane;hydrate?
The IUPAC name of ethylsulfanylcyclohexane;hydrate (CID 154657680) is ethylsulfanylcyclohexane;hydrate.
What is the SMILES notation for ethylsulfanylcyclohexane;hydrate?
The canonical SMILES for ethylsulfanylcyclohexane;hydrate is CCSC1CCCCC1.O.
What is the InChIKey of ethylsulfanylcyclohexane;hydrate?
The InChIKey is AUUKTZFVOUFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.H2O/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H2.
What are the key properties of ethylsulfanylcyclohexane;hydrate?
ethylsulfanylcyclohexane;hydrate has a molecular weight of 162.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylcyclohexane;hydrate is sourced from PubChem (CID 154657680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).