3-Ethylsulfanylcyclohexene

C8H14S — CID 10975594

IUPAC3-ethylsulfanylcyclohexene
SMILESCCSC1CCCC=C1
InChIInChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyRYSYTPCQKHQAQS-UHFFFAOYSA-N
MW142.26 g/mol
LogP2.70
Rot. Bonds2

About 3-Ethylsulfanylcyclohexene

3-Ethylsulfanylcyclohexene (PubChem CID 10975594) has the molecular formula C8H14S and a molecular weight of 142.26 g/mol. Its IUPAC name is 3-ethylsulfanylcyclohexene.

Molecular Properties

Compound Name3-Ethylsulfanylcyclohexene
PubChem CID10975594
Molecular FormulaC8H14S
Molecular Weight142.26 g/mol
Exact Mass142.08
IUPAC Name3-ethylsulfanylcyclohexene
SMILESCCSC1CCCC=C1
InChIInChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyRYSYTPCQKHQAQS-UHFFFAOYSA-N
XLogP2.70
TPSA25.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity96

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-Dihydro-2H-thiopyran
CID 567880
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2-Pentylthiapyran
CID 526620
1-(Methylthio)cyclohexene
CID 5325878
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(E)-1-methylsulfanylhept-2-ene
CID 13215828
S-[(1S)-cyclohex-2-en-1-yl] ethanethioate
CID 11389519
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
2-Propyl-2,5-dihydrothiophene
CID 15032355
5-Butyl-2,3-dihydrothiophene
CID 11062496
7-Thiabicyclo[4.1.0]hept-3-ene
CID 12581883

Frequently Asked Questions

What is the IUPAC name of 3-Ethylsulfanylcyclohexene?
The IUPAC name of 3-Ethylsulfanylcyclohexene (CID 10975594) is 3-ethylsulfanylcyclohexene.
What is the SMILES notation for 3-Ethylsulfanylcyclohexene?
The canonical SMILES for 3-Ethylsulfanylcyclohexene is CCSC1CCCC=C1.
What is the InChIKey of 3-Ethylsulfanylcyclohexene?
The InChIKey is RYSYTPCQKHQAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-9-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-Ethylsulfanylcyclohexene?
3-Ethylsulfanylcyclohexene has a molecular weight of 142.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethylsulfanylcyclohexene is sourced from PubChem (CID 10975594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).