ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene

C26H38S — CID 144794544

IUPACethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1cc(C)c(C)cc1C.C=C(Cc1ccc(C)cc1)SC.CC
InChIInChI=1S/C13H18.C11H14S.C2H6/c1-9(2)6-13-8-11(4)10(3)7-12(13)5;1-9-4-6-11(7-5-9)8-10(2)12-3;1-2/h7-8H,1,6H2,2-5H3;4-7H,2,8H2,1,3H3;1-2H3
InChIKeyIAIGZKXVOGWKRV-UHFFFAOYSA-N
MW382.66 g/mol
LogP8.17
Rot. Bonds5

About ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene

ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene (PubChem CID 144794544) has the molecular formula C26H38S and a molecular weight of 382.66 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene
PubChem CID144794544
Molecular FormulaC26H38S
Molecular Weight382.66 g/mol
Exact Mass382.27
IUPAC Nameethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1cc(C)c(C)cc1C.C=C(Cc1ccc(C)cc1)SC.CC
InChIInChI=1S/C13H18.C11H14S.C2H6/c1-9(2)6-13-8-11(4)10(3)7-12(13)5;1-9-4-6-11(7-5-9)8-10(2)12-3;1-2/h7-8H,1,6H2,2-5H3;4-7H,2,8H2,1,3H3;1-2H3
InChIKeyIAIGZKXVOGWKRV-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-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

ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
CID 143343154
N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 144794543
1-fluoro-5-[3-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]prop-1-en-2-ylsulfanyl]-2,4-dimethylbenzene
CID 146649233
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
CID 166473604
1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
CID 168781285
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
CID 166162236
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
2,5-dimethyl-4-(2-methylprop-2-enyl)aniline;5-methylidene-3-(1-methylsulfanylethenyl)-6,7,8,9-tetrahydrobenzo[7]annulene
CID 144794826
1,2-dimethyl-4-(1-methylsulfanylethenyl)benzene;5-ethyl-2-methyl-4-(2-methylprop-2-enyl)aniline
CID 144794779
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline
CID 142277333

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene?
The IUPAC name of ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene (CID 144794544) is ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene.
What is the SMILES notation for ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene?
The canonical SMILES for ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene is C=C(C)Cc1cc(C)c(C)cc1C.C=C(Cc1ccc(C)cc1)SC.CC.
What is the InChIKey of ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene?
The InChIKey is IAIGZKXVOGWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C11H14S.C2H6/c1-9(2)6-13-8-11(4)10(3)7-12(13)5;1-9-4-6-11(7-5-9)8-10(2)12-3;1-2/h7-8H,1,6H2,2-5H3;4-7H,2,8H2,1,3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene?
ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene has a molecular weight of 382.66 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-methylsulfanylprop-2-enyl)benzene;1,2,4-trimethyl-5-(2-methylprop-2-enyl)benzene is sourced from PubChem (CID 144794544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).