3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran

C11H12S — CID 143340610

IUPAC3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
SMILESC=CC1=C(/C=C\C)SC=CC1=C
InChIInChI=1S/C11H12S/c1-4-6-11-10(5-2)9(3)7-8-12-11/h4-8H,2-3H2,1H3/b6-4-
InChIKeyUXPDJKPCCQUQJW-XQRVVYSFSA-N
MW176.28 g/mol
LogP3.82
Rot. Bonds2

About 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran

3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran (PubChem CID 143340610) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran.

Molecular Properties

Compound Name3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
PubChem CID143340610
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
SMILESC=CC1=C(/C=C\C)SC=CC1=C
InChIInChI=1S/C11H12S/c1-4-6-11-10(5-2)9(3)7-8-12-11/h4-8H,2-3H2,1H3/b6-4-
InChIKeyUXPDJKPCCQUQJW-XQRVVYSFSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis(ethenyl)-4-methylidenethiopyran
CID 143333488
5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
CID 142074058
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 156829668
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
CID 145241491
3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indene
CID 142148041
5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane
CID 167465071
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
2,3-bis(ethenyl)-4-methylidenepyran
CID 143333491
1,2-bis(ethenyl)-3-methylidenecyclohexa-1,4-diene
CID 145268237
(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene
CID 163430658
2-ethenyl-4-prop-1-enyl-1H-pyrrole
CID 123523281
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran?
The IUPAC name of 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran (CID 143340610) is 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran.
What is the SMILES notation for 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran?
The canonical SMILES for 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran is C=CC1=C(/C=C\C)SC=CC1=C.
What is the InChIKey of 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran?
The InChIKey is UXPDJKPCCQUQJW-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H12S/c1-4-6-11-10(5-2)9(3)7-8-12-11/h4-8H,2-3H2,1H3/b6-4-.
What are the key properties of 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran?
3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran has a molecular weight of 176.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran is sourced from PubChem (CID 143340610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).