1-chloro-4-ethylsulfanylcyclohexene

C8H13ClS — CID 163896946

IUPAC1-chloro-4-ethylsulfanylcyclohexene
SMILESCCSC1CC=C(Cl)CC1
InChIInChI=1S/C8H13ClS/c1-2-10-8-5-3-7(9)4-6-8/h3,8H,2,4-6H2,1H3
InChIKeyQGLWZCKJWZIKRD-UHFFFAOYSA-N
MW176.71 g/mol
LogP3.41
Rot. Bonds2

About 1-chloro-4-ethylsulfanylcyclohexene

1-chloro-4-ethylsulfanylcyclohexene (PubChem CID 163896946) has the molecular formula C8H13ClS and a molecular weight of 176.71 g/mol. Its IUPAC name is 1-chloro-4-ethylsulfanylcyclohexene.

Molecular Properties

Compound Name1-chloro-4-ethylsulfanylcyclohexene
PubChem CID163896946
Molecular FormulaC8H13ClS
Molecular Weight176.71 g/mol
Exact Mass176.04
IUPAC Name1-chloro-4-ethylsulfanylcyclohexene
SMILESCCSC1CC=C(Cl)CC1
InChIInChI=1S/C8H13ClS/c1-2-10-8-5-3-7(9)4-6-8/h3,8H,2,4-6H2,1H3
InChIKeyQGLWZCKJWZIKRD-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloroethyl)-6-ethenyl-3,6-dihydro-2H-thiopyran
CID 13615989
1-(Ethylsulfanyl)cyclohex-1-ene
CID 13056371
3-Chloro-1-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 89343681
5-Butyl-2-chloro-2,3-dihydrothiophene
CID 91568490
2-ethyl-6-methyl-3,4-dihydro-2H-thiopyran
CID 91582511
1-Chloro-4-methylsulfanylcyclohexene
CID 123346680
1-Chloro-4-propylsulfanylcyclohexa-1,3-diene
CID 123864545
(3S)-3-chloro-2-ethyl-5-methyl-2,3-dihydrothiophene
CID 132198833
4-Chloro-5-methylsulfanylcyclohexene
CID 129923222

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethylsulfanylcyclohexene?
The IUPAC name of 1-chloro-4-ethylsulfanylcyclohexene (CID 163896946) is 1-chloro-4-ethylsulfanylcyclohexene.
What is the SMILES notation for 1-chloro-4-ethylsulfanylcyclohexene?
The canonical SMILES for 1-chloro-4-ethylsulfanylcyclohexene is CCSC1CC=C(Cl)CC1.
What is the InChIKey of 1-chloro-4-ethylsulfanylcyclohexene?
The InChIKey is QGLWZCKJWZIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClS/c1-2-10-8-5-3-7(9)4-6-8/h3,8H,2,4-6H2,1H3.
What are the key properties of 1-chloro-4-ethylsulfanylcyclohexene?
1-chloro-4-ethylsulfanylcyclohexene has a molecular weight of 176.71 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethylsulfanylcyclohexene is sourced from PubChem (CID 163896946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).