2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide

C16H14OS — CID 169090021

IUPAC2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide
SMILESC=CC1C=Cc2cc3cc(C)ccc3cc2S1=O
InChIInChI=1S/C16H14OS/c1-3-15-7-6-13-9-14-8-11(2)4-5-12(14)10-16(13)18(15)17/h3-10,15H,1H2,2H3
InChIKeyLFAZTCCRUIEEFR-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.84
Rot. Bonds1

About 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide

2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide (PubChem CID 169090021) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide.

Molecular Properties

Compound Name2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide
PubChem CID169090021
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide
SMILESC=CC1C=Cc2cc3cc(C)ccc3cc2S1=O
InChIInChI=1S/C16H14OS/c1-3-15-7-6-13-9-14-8-11(2)4-5-12(14)10-16(13)18(15)17/h3-10,15H,1H2,2H3
InChIKeyLFAZTCCRUIEEFR-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide 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-ethenyl-3-fluoro-6-methylnaphthalene
CID 58718953
2-phenyl-2H-benzo[g]thiochromene 1-oxide
CID 178076131
2,9-dimethylpentacene
CID 11460950
2,6-dimethylnaphthalene;propane
CID 142191183
6-methyl-2,3-dimethylidenenaphthalene
CID 123701637
6-methylanthracene-2-carbaldehyde
CID 156805593
lithium;hydride;2-methylnaphthalene
CID 175090071
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
anthracene-9,10-dione;2-methylanthracene
CID 159482173
ethane;3-ethyl-2,6-dimethylnaphthalene
CID 143575841
6-methylnaphthalene-2-carbaldehyde
CID 6452268

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide?
The IUPAC name of 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide (CID 169090021) is 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide.
What is the SMILES notation for 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide?
The canonical SMILES for 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide is C=CC1C=Cc2cc3cc(C)ccc3cc2S1=O.
What is the InChIKey of 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide?
The InChIKey is LFAZTCCRUIEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-3-15-7-6-13-9-14-8-11(2)4-5-12(14)10-16(13)18(15)17/h3-10,15H,1H2,2H3.
What are the key properties of 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide?
2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide has a molecular weight of 254.35 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide is sourced from PubChem (CID 169090021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).