2-methyl-3-(4-nitrophenyl)sulfanylfuran

C11H9NO3S — CID 135042679

IUPAC2-methyl-3-(4-nitrophenyl)sulfanylfuran
SMILESCc1occc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO3S/c1-8-11(6-7-15-8)16-10-4-2-9(3-5-10)12(13)14/h2-7H,1H3
InChIKeyLCVYEKDITMDENY-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-3-(4-nitrophenyl)sulfanylfuran

2-methyl-3-(4-nitrophenyl)sulfanylfuran (PubChem CID 135042679) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-methyl-3-(4-nitrophenyl)sulfanylfuran.

Molecular Properties

Compound Name2-methyl-3-(4-nitrophenyl)sulfanylfuran
PubChem CID135042679
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-methyl-3-(4-nitrophenyl)sulfanylfuran
SMILESCc1occc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO3S/c1-8-11(6-7-15-8)16-10-4-2-9(3-5-10)12(13)14/h2-7H,1H3
InChIKeyLCVYEKDITMDENY-UHFFFAOYSA-N
XLogP3.65
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.65
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 2-methyl-3-(4-nitrophenyl)sulfanylfuran?
The IUPAC name of 2-methyl-3-(4-nitrophenyl)sulfanylfuran (CID 135042679) is 2-methyl-3-(4-nitrophenyl)sulfanylfuran.
What is the SMILES notation for 2-methyl-3-(4-nitrophenyl)sulfanylfuran?
The canonical SMILES for 2-methyl-3-(4-nitrophenyl)sulfanylfuran is Cc1occc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-3-(4-nitrophenyl)sulfanylfuran?
The InChIKey is LCVYEKDITMDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-8-11(6-7-15-8)16-10-4-2-9(3-5-10)12(13)14/h2-7H,1H3.
What are the key properties of 2-methyl-3-(4-nitrophenyl)sulfanylfuran?
2-methyl-3-(4-nitrophenyl)sulfanylfuran has a molecular weight of 235.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-nitrophenyl)sulfanylfuran is sourced from PubChem (CID 135042679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).