2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene

C17H18S2 — CID 143802784

IUPAC2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene
SMILESC=C(S/C(=C\C)c1ccc(C)s1)C1=CC=CC2CC12
InChIInChI=1S/C17H18S2/c1-4-16(17-9-8-11(2)18-17)19-12(3)14-7-5-6-13-10-15(13)14/h4-9,13,15H,3,10H2,1-2H3/b16-4-
InChIKeyYNCVQJOEZHCUAA-XRVIQIRUSA-N
MW286.47 g/mol
LogP5.80
Rot. Bonds4

About 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene

2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene (PubChem CID 143802784) has the molecular formula C17H18S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene
PubChem CID143802784
Molecular FormulaC17H18S2
Molecular Weight286.47 g/mol
Exact Mass286.08
IUPAC Name2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene
SMILESC=C(S/C(=C\C)c1ccc(C)s1)C1=CC=CC2CC12
InChIInChI=1S/C17H18S2/c1-4-16(17-9-8-11(2)18-17)19-12(3)14-7-5-6-13-10-15(13)14/h4-9,13,15H,3,10H2,1-2H3/b16-4-
InChIKeyYNCVQJOEZHCUAA-XRVIQIRUSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene 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-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500
2-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123235064
2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene
CID 143802785
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiophene
CID 89097049
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
CID 43800262
(1Z)-1-(5-methylthiophen-2-yl)buta-1,3-diene-1-thiol
CID 142100877
(1R,5S)-3-[2,2-bis(5-methylthiophen-2-yl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
CID 69239057
2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
CID 15970252
2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene
CID 89227184
2-(5-methylthiophen-2-yl)ethene-1,1,2-tricarbonitrile
CID 142499561
2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene
CID 143952682

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene?
The IUPAC name of 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene (CID 143802784) is 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene.
What is the SMILES notation for 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene?
The canonical SMILES for 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene is C=C(S/C(=C\C)c1ccc(C)s1)C1=CC=CC2CC12.
What is the InChIKey of 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene?
The InChIKey is YNCVQJOEZHCUAA-XRVIQIRUSA-N. The full InChI is InChI=1S/C17H18S2/c1-4-16(17-9-8-11(2)18-17)19-12(3)14-7-5-6-13-10-15(13)14/h4-9,13,15H,3,10H2,1-2H3/b16-4-.
What are the key properties of 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene?
2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene has a molecular weight of 286.47 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene is sourced from PubChem (CID 143802784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).