2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide

C17H16OS — CID 169090020

IUPAC2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide
SMILESC=CC1C=Cc2cc3cc(C)c(C)cc3cc2S1=O
InChIInChI=1S/C17H16OS/c1-4-16-6-5-13-9-14-7-11(2)12(3)8-15(14)10-17(13)19(16)18/h4-10,16H,1H2,2-3H3
InChIKeyYJDGCUDQDOJBDS-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.15
Rot. Bonds1

About 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide

2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide (PubChem CID 169090020) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide.

Molecular Properties

Compound Name2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide
PubChem CID169090020
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide
SMILESC=CC1C=Cc2cc3cc(C)c(C)cc3cc2S1=O
InChIInChI=1S/C17H16OS/c1-4-16-6-5-13-9-14-7-11(2)12(3)8-15(14)10-17(13)19(16)18/h4-10,16H,1H2,2-3H3
InChIKeyYJDGCUDQDOJBDS-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide?
The IUPAC name of 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide (CID 169090020) is 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide.
What is the SMILES notation for 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide?
The canonical SMILES for 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide is C=CC1C=Cc2cc3cc(C)c(C)cc3cc2S1=O.
What is the InChIKey of 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide?
The InChIKey is YJDGCUDQDOJBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-4-16-6-5-13-9-14-7-11(2)12(3)8-15(14)10-17(13)19(16)18/h4-10,16H,1H2,2-3H3.
What are the key properties of 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide?
2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide has a molecular weight of 268.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-7,8-dimethyl-2H-benzo[g]thiochromene 1-oxide is sourced from PubChem (CID 169090020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).