1-ethylsulfanylcyclohexa-1,3-diene

C8H12S — CID 19771183

IUPAC1-ethylsulfanylcyclohexa-1,3-diene
SMILESCCSC1=CC=CCC1
InChIInChI=1S/C8H12S/c1-2-9-8-6-4-3-5-7-8/h3-4,6H,2,5,7H2,1H3
InChIKeyVUKUZRQLXLLRPA-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.97
Rot. Bonds2

About 1-ethylsulfanylcyclohexa-1,3-diene

1-ethylsulfanylcyclohexa-1,3-diene (PubChem CID 19771183) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-ethylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethylsulfanylcyclohexa-1,3-diene
PubChem CID19771183
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name1-ethylsulfanylcyclohexa-1,3-diene
SMILESCCSC1=CC=CCC1
InChIInChI=1S/C8H12S/c1-2-9-8-6-4-3-5-7-8/h3-4,6H,2,5,7H2,1H3
InChIKeyVUKUZRQLXLLRPA-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-Dihydro-2H-thiopyran
CID 567880
2-methyl-(2H)-thiapyran
CID 527054
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2-Pentylthiapyran
CID 526620
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
3-Ethylsulfanylcyclohexene
CID 10975594
2,6-ditert-butyl-2H-thiopyran
CID 12513623
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
2-Methyl-5,6-dihydrothiopyran
CID 13615975
(E)-1-methylsulfanylhept-3-ene
CID 14024901
Dithiopyrylmethane
CID 14420634

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-ethylsulfanylcyclohexa-1,3-diene (CID 19771183) is 1-ethylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethylsulfanylcyclohexa-1,3-diene is CCSC1=CC=CCC1.
What is the InChIKey of 1-ethylsulfanylcyclohexa-1,3-diene?
The InChIKey is VUKUZRQLXLLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-9-8-6-4-3-5-7-8/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-ethylsulfanylcyclohexa-1,3-diene?
1-ethylsulfanylcyclohexa-1,3-diene has a molecular weight of 140.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 19771183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).