(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran

C9H12S — CID 23558491

IUPAC(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran
SMILESC=CC1=C/C(=C/C)CSC1
InChIInChI=1S/C9H12S/c1-3-8-5-9(4-2)7-10-6-8/h3-5H,1,6-7H2,2H3/b9-4-
InChIKeyZLQBQPWCWODLRE-WTKPLQERSA-N
MW152.26 g/mol
LogP2.79
Rot. Bonds1

About (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran

(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran (PubChem CID 23558491) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran.

Molecular Properties

Compound Name(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran
PubChem CID23558491
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran
SMILESC=CC1=C/C(=C/C)CSC1
InChIInChI=1S/C9H12S/c1-3-8-5-9(4-2)7-10-6-8/h3-5H,1,6-7H2,2H3/b9-4-
InChIKeyZLQBQPWCWODLRE-WTKPLQERSA-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

Analyze (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran?
The IUPAC name of (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran (CID 23558491) is (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran.
What is the SMILES notation for (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran?
The canonical SMILES for (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran is C=CC1=C/C(=C/C)CSC1.
What is the InChIKey of (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran?
The InChIKey is ZLQBQPWCWODLRE-WTKPLQERSA-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/b9-4-.
What are the key properties of (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran?
(5Z)-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 (5Z)-3-ethenyl-5-ethylidene-2H-thiopyran is sourced from PubChem (CID 23558491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).