3-ethenyl-5-ethylidene-2H-thiopyran

C9H12S — CID 74062563

IUPAC3-ethenyl-5-ethylidene-2H-thiopyran
SMILESC=CC1=CC(=CC)CSC1
InChIInChI=1S/C9H12S/c1-3-8-5-9(4-2)7-10-6-8/h3-5H,1,6-7H2,2H3
InChIKeyZLQBQPWCWODLRE-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.79
Rot. Bonds1

About 3-ethenyl-5-ethylidene-2H-thiopyran

3-ethenyl-5-ethylidene-2H-thiopyran (PubChem CID 74062563) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 3-ethenyl-5-ethylidene-2H-thiopyran.

Molecular Properties

Compound Name3-ethenyl-5-ethylidene-2H-thiopyran
PubChem CID74062563
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name3-ethenyl-5-ethylidene-2H-thiopyran
SMILESC=CC1=CC(=CC)CSC1
InChIInChI=1S/C9H12S/c1-3-8-5-9(4-2)7-10-6-8/h3-5H,1,6-7H2,2H3
InChIKeyZLQBQPWCWODLRE-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-(2H)-thiapyran
CID 527054
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
2,6-ditert-butyl-2H-thiopyran
CID 12513623
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
2-Methyl-5,6-dihydrothiopyran
CID 13615975
7-Tetrahydrobenzo[b]thiophene
CID 18315883
4-methyl-2H-thiopyran
CID 18974596
6-ethyl-2H-thiopyran
CID 19737637
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
Thiaazulene
CID 22111386
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-ethylidene-2H-thiopyran?
The IUPAC name of 3-ethenyl-5-ethylidene-2H-thiopyran (CID 74062563) is 3-ethenyl-5-ethylidene-2H-thiopyran.
What is the SMILES notation for 3-ethenyl-5-ethylidene-2H-thiopyran?
The canonical SMILES for 3-ethenyl-5-ethylidene-2H-thiopyran is C=CC1=CC(=CC)CSC1.
What is the InChIKey of 3-ethenyl-5-ethylidene-2H-thiopyran?
The InChIKey is ZLQBQPWCWODLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-8-5-9(4-2)7-10-6-8/h3-5H,1,6-7H2,2H3.
What are the key properties of 3-ethenyl-5-ethylidene-2H-thiopyran?
3-ethenyl-5-ethylidene-2H-thiopyran has a molecular weight of 152.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-ethylidene-2H-thiopyran is sourced from PubChem (CID 74062563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).