3-nitro-2,6-diphenyl-2H-thiopyran

C17H13NO2S — CID 14666831

IUPAC3-nitro-2,6-diphenyl-2H-thiopyran
SMILESO=[N+]([O-])C1=CC=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-18(20)15-11-12-16(13-7-3-1-4-8-13)21-17(15)14-9-5-2-6-10-14/h1-12,17H
InChIKeyCWRUXIFNZRTLJP-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.68
Rot. Bonds3

About 3-nitro-2,6-diphenyl-2H-thiopyran

3-nitro-2,6-diphenyl-2H-thiopyran (PubChem CID 14666831) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-nitro-2,6-diphenyl-2H-thiopyran.

Molecular Properties

Compound Name3-nitro-2,6-diphenyl-2H-thiopyran
PubChem CID14666831
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name3-nitro-2,6-diphenyl-2H-thiopyran
SMILESO=[N+]([O-])C1=CC=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-18(20)15-11-12-16(13-7-3-1-4-8-13)21-17(15)14-9-5-2-6-10-14/h1-12,17H
InChIKeyCWRUXIFNZRTLJP-UHFFFAOYSA-N
XLogP4.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2,6-diphenyl-2H-thiopyran?
The IUPAC name of 3-nitro-2,6-diphenyl-2H-thiopyran (CID 14666831) is 3-nitro-2,6-diphenyl-2H-thiopyran.
What is the SMILES notation for 3-nitro-2,6-diphenyl-2H-thiopyran?
The canonical SMILES for 3-nitro-2,6-diphenyl-2H-thiopyran is O=[N+]([O-])C1=CC=C(c2ccccc2)SC1c1ccccc1.
What is the InChIKey of 3-nitro-2,6-diphenyl-2H-thiopyran?
The InChIKey is CWRUXIFNZRTLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-18(20)15-11-12-16(13-7-3-1-4-8-13)21-17(15)14-9-5-2-6-10-14/h1-12,17H.
What are the key properties of 3-nitro-2,6-diphenyl-2H-thiopyran?
3-nitro-2,6-diphenyl-2H-thiopyran has a molecular weight of 295.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,6-diphenyl-2H-thiopyran is sourced from PubChem (CID 14666831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).