[(Z)-2-ethenylsulfanylbut-2-enyl]benzene

C12H14S — CID 144877923

IUPAC[(Z)-2-ethenylsulfanylbut-2-enyl]benzene
SMILESC=CS/C(=C\C)Cc1ccccc1
InChIInChI=1S/C12H14S/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-9H,2,10H2,1H3/b12-3-
InChIKeyBMAYIEXBAZJCCM-BASWHVEKSA-N
MW190.31 g/mol
LogP4.01
Rot. Bonds4

About [(Z)-2-ethenylsulfanylbut-2-enyl]benzene

[(Z)-2-ethenylsulfanylbut-2-enyl]benzene (PubChem CID 144877923) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is [(Z)-2-ethenylsulfanylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethenylsulfanylbut-2-enyl]benzene
PubChem CID144877923
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name[(Z)-2-ethenylsulfanylbut-2-enyl]benzene
SMILESC=CS/C(=C\C)Cc1ccccc1
InChIInChI=1S/C12H14S/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-9H,2,10H2,1H3/b12-3-
InChIKeyBMAYIEXBAZJCCM-BASWHVEKSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(Z)-2-ethenylsulfanylbut-2-enyl]benzene 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

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(E)-1-phenylbut-2-en-2-ol
CID 170790149
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
1-phenylbut-2-en-2-amine
CID 68995045
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
2,3-bis(ethenyl)penta-2,4-dienylbenzene
CID 142535288
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
(Z)-1-(furan-2-yl)-3-methylsulfanyl-4-phenylbut-2-en-1-one
CID 10879770
ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
CID 145328256

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethenylsulfanylbut-2-enyl]benzene?
The IUPAC name of [(Z)-2-ethenylsulfanylbut-2-enyl]benzene (CID 144877923) is [(Z)-2-ethenylsulfanylbut-2-enyl]benzene.
What is the SMILES notation for [(Z)-2-ethenylsulfanylbut-2-enyl]benzene?
The canonical SMILES for [(Z)-2-ethenylsulfanylbut-2-enyl]benzene is C=CS/C(=C\C)Cc1ccccc1.
What is the InChIKey of [(Z)-2-ethenylsulfanylbut-2-enyl]benzene?
The InChIKey is BMAYIEXBAZJCCM-BASWHVEKSA-N. The full InChI is InChI=1S/C12H14S/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h3-9H,2,10H2,1H3/b12-3-.
What are the key properties of [(Z)-2-ethenylsulfanylbut-2-enyl]benzene?
[(Z)-2-ethenylsulfanylbut-2-enyl]benzene has a molecular weight of 190.31 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethenylsulfanylbut-2-enyl]benzene is sourced from PubChem (CID 144877923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).