5-ethylsulfanyl-6-methylcyclohexa-1,3-diene

C9H14S — CID 18977816

IUPAC5-ethylsulfanyl-6-methylcyclohexa-1,3-diene
SMILESCCSC1C=CC=CC1C
InChIInChI=1S/C9H14S/c1-3-10-9-7-5-4-6-8(9)2/h4-9H,3H2,1-2H3
InChIKeyOAQFPHRKHAAYNJ-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.87
Rot. Bonds2

About 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene

5-ethylsulfanyl-6-methylcyclohexa-1,3-diene (PubChem CID 18977816) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylsulfanyl-6-methylcyclohexa-1,3-diene
PubChem CID18977816
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name5-ethylsulfanyl-6-methylcyclohexa-1,3-diene
SMILESCCSC1C=CC=CC1C
InChIInChI=1S/C9H14S/c1-3-10-9-7-5-4-6-8(9)2/h4-9H,3H2,1-2H3
InChIKeyOAQFPHRKHAAYNJ-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-2H-thiopyran
CID 12513623
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
3a,7a-Dihydro-1-benzothiophene
CID 18380278
2,3,3a,7a-Tetrahydro-1-benzothiophene
CID 19417554
6-ethyl-2H-thiopyran
CID 19737637
Tetrahydrobenzothiophene
CID 19831276
Methylbenzol sulfide
CID 87848668
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
Ethyl benzene sulphide
CID 129731890
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene (CID 18977816) is 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene is CCSC1C=CC=CC1C.
What is the InChIKey of 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene?
The InChIKey is OAQFPHRKHAAYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-10-9-7-5-4-6-8(9)2/h4-9H,3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene?
5-ethylsulfanyl-6-methylcyclohexa-1,3-diene has a molecular weight of 154.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 18977816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).