(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene

C8H12S — CID 177208202

IUPAC(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C(=C)SC
InChIInChI=1S/C8H12S/c1-5-6-7(2)8(3)9-4/h5-6H,1,3H2,2,4H3/b7-6-
InChIKeyZICPXEFVTBVFIH-SREVYHEPSA-N
MW140.25 g/mol
LogP3.00
Rot. Bonds3

About (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene

(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene (PubChem CID 177208202) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
PubChem CID177208202
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
SMILESC=C/C=C(/C)C(=C)SC
InChIInChI=1S/C8H12S/c1-5-6-7(2)8(3)9-4/h5-6H,1,3H2,2,4H3/b7-6-
InChIKeyZICPXEFVTBVFIH-SREVYHEPSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene 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

(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
CID 88850042
(3E,5Z)-4,8-dimethyl-5-methylsulfanylnona-1,3,5,7-tetraene
CID 134527831
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
(3E)-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
CID 144678667
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 166800420
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene?
The IUPAC name of (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene (CID 177208202) is (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene is C=C/C=C(/C)C(=C)SC.
What is the InChIKey of (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene?
The InChIKey is ZICPXEFVTBVFIH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12S/c1-5-6-7(2)8(3)9-4/h5-6H,1,3H2,2,4H3/b7-6-.
What are the key properties of (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene?
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene has a molecular weight of 140.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene is sourced from PubChem (CID 177208202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).