2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene

C14H16S — CID 145354748

IUPAC2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene
SMILESCSc1ccc(C)cc1C1=CC=CCC1
InChIInChI=1S/C14H16S/c1-11-8-9-14(15-2)13(10-11)12-6-4-3-5-7-12/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyUYDJMPHMMOHHLL-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.45
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene

2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene (PubChem CID 145354748) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene
PubChem CID145354748
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene
SMILESCSc1ccc(C)cc1C1=CC=CCC1
InChIInChI=1S/C14H16S/c1-11-8-9-14(15-2)13(10-11)12-6-4-3-5-7-12/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyUYDJMPHMMOHHLL-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene 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

2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
CID 143516751
4-cyclohexa-1,3-dien-1-yl-3-methylaniline
CID 155394306
3-cyclohexa-1,3-dien-1-yl-2-methylaniline
CID 166812427
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
4-methyl-1-(4-methylphenyl)-2-methylsulfanylbenzene
CID 143364745
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
5-[[2-(2-cyclohexa-1,3-dien-1-yl-3-methylphenyl)-4-methylphenyl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-4-ium
CID 173184926
2-cyclohexa-1,3-dien-1-yl-5-[3-[2,6-dimethyl-10-[3-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]thiophene
CID 89360166
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
2-N-cyclohexa-1,3-dien-1-yl-4-methylbenzene-1,2-diamine
CID 89086842
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene (CID 145354748) is 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene is CSc1ccc(C)cc1C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene?
The InChIKey is UYDJMPHMMOHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-11-8-9-14(15-2)13(10-11)12-6-4-3-5-7-12/h3-4,6,8-10H,5,7H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene?
2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene has a molecular weight of 216.35 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 145354748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).