7-methyl-3-methylideneocta-1,6-diene-1-thione

C10H14S — CID 175121467

IUPAC7-methyl-3-methylideneocta-1,6-diene-1-thione
SMILESC=C(C=C=S)CCC=C(C)C
InChIInChI=1S/C10H14S/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,3-4,6H2,1-2H3
InChIKeyIGFPWOWKSKNIST-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.44
Rot. Bonds4

About 7-methyl-3-methylideneocta-1,6-diene-1-thione

7-methyl-3-methylideneocta-1,6-diene-1-thione (PubChem CID 175121467) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 7-methyl-3-methylideneocta-1,6-diene-1-thione.

Molecular Properties

Compound Name7-methyl-3-methylideneocta-1,6-diene-1-thione
PubChem CID175121467
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name7-methyl-3-methylideneocta-1,6-diene-1-thione
SMILESC=C(C=C=S)CCC=C(C)C
InChIInChI=1S/C10H14S/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,3-4,6H2,1-2H3
InChIKeyIGFPWOWKSKNIST-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methyl-3-methylideneocta-1,6-diene-1-thione 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

7-methyl-3-methylideneocta-1,6-diene
CID 173118544
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
2-bromo-6-methylhepta-1,5-diene
CID 12000295
(2R)-7-methyl-3-methylideneoct-6-en-2-ol
CID 10953746
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
3-methylbuta-1,3-diene-1-thione
CID 14644483
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylideneocta-1,6-diene-1-thione?
The IUPAC name of 7-methyl-3-methylideneocta-1,6-diene-1-thione (CID 175121467) is 7-methyl-3-methylideneocta-1,6-diene-1-thione.
What is the SMILES notation for 7-methyl-3-methylideneocta-1,6-diene-1-thione?
The canonical SMILES for 7-methyl-3-methylideneocta-1,6-diene-1-thione is C=C(C=C=S)CCC=C(C)C.
What is the InChIKey of 7-methyl-3-methylideneocta-1,6-diene-1-thione?
The InChIKey is IGFPWOWKSKNIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 7-methyl-3-methylideneocta-1,6-diene-1-thione?
7-methyl-3-methylideneocta-1,6-diene-1-thione has a molecular weight of 166.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneocta-1,6-diene-1-thione is sourced from PubChem (CID 175121467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).