1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene

C17H20S — CID 143844986

IUPAC1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene
SMILESC=C(SC(=C)c1cccc(C)c1)/C(C)=C\C=C/C
InChIInChI=1S/C17H20S/c1-6-7-10-14(3)15(4)18-16(5)17-11-8-9-13(2)12-17/h6-12H,4-5H2,1-3H3/b7-6-,14-10-
InChIKeyIUVDCZGZMNRVSS-FSGUHFLXSA-N
MW256.41 g/mol
LogP5.74
Rot. Bonds5

About 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene

1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene (PubChem CID 143844986) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene
PubChem CID143844986
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene
SMILESC=C(SC(=C)c1cccc(C)c1)/C(C)=C\C=C/C
InChIInChI=1S/C17H20S/c1-6-7-10-14(3)15(4)18-16(5)17-11-8-9-13(2)12-17/h6-12H,4-5H2,1-3H3/b7-6-,14-10-
InChIKeyIUVDCZGZMNRVSS-FSGUHFLXSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene?
The IUPAC name of 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene (CID 143844986) is 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene.
What is the SMILES notation for 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene?
The canonical SMILES for 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene is C=C(SC(=C)c1cccc(C)c1)/C(C)=C\C=C/C.
What is the InChIKey of 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene?
The InChIKey is IUVDCZGZMNRVSS-FSGUHFLXSA-N. The full InChI is InChI=1S/C17H20S/c1-6-7-10-14(3)15(4)18-16(5)17-11-8-9-13(2)12-17/h6-12H,4-5H2,1-3H3/b7-6-,14-10-.
What are the key properties of 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene?
1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene has a molecular weight of 256.41 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene is sourced from PubChem (CID 143844986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).