3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran

C15H11NO2S2 — CID 15518929

IUPAC3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran
SMILESO=[N+]([O-])C1=CC=C(c2cccs2)SC1c1ccccc1
InChIInChI=1S/C15H11NO2S2/c17-16(18)12-8-9-14(13-7-4-10-19-13)20-15(12)11-5-2-1-3-6-11/h1-10,15H
InChIKeyUGTLLUBLLDDWBG-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.74
Rot. Bonds3

About 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran

3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran (PubChem CID 15518929) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran.

Molecular Properties

Compound Name3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran
PubChem CID15518929
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran
SMILESO=[N+]([O-])C1=CC=C(c2cccs2)SC1c1ccccc1
InChIInChI=1S/C15H11NO2S2/c17-16(18)12-8-9-14(13-7-4-10-19-13)20-15(12)11-5-2-1-3-6-11/h1-10,15H
InChIKeyUGTLLUBLLDDWBG-UHFFFAOYSA-N
XLogP4.74
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenyl-6-thiophen-2-yl-2H-thiopyran?
The IUPAC name of 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran (CID 15518929) is 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran.
What is the SMILES notation for 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran?
The canonical SMILES for 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran is O=[N+]([O-])C1=CC=C(c2cccs2)SC1c1ccccc1.
What is the InChIKey of 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran?
The InChIKey is UGTLLUBLLDDWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S2/c17-16(18)12-8-9-14(13-7-4-10-19-13)20-15(12)11-5-2-1-3-6-11/h1-10,15H.
What are the key properties of 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran?
3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran has a molecular weight of 301.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenyl-6-thiophen-2-yl-2H-thiopyran is sourced from PubChem (CID 15518929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).