2-nitro-5-phenylthiophen-3-amine

C10H8N2O2S — CID 83617416

IUPAC2-nitro-5-phenylthiophen-3-amine
SMILESNc1cc(-c2ccccc2)sc1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O2S/c11-8-6-9(15-10(8)12(13)14)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyGQHSVSPBONRWFC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.91
Rot. Bonds2

About 2-nitro-5-phenylthiophen-3-amine

2-nitro-5-phenylthiophen-3-amine (PubChem CID 83617416) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-nitro-5-phenylthiophen-3-amine.

Molecular Properties

Compound Name2-nitro-5-phenylthiophen-3-amine
PubChem CID83617416
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-nitro-5-phenylthiophen-3-amine
SMILESNc1cc(-c2ccccc2)sc1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O2S/c11-8-6-9(15-10(8)12(13)14)7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyGQHSVSPBONRWFC-UHFFFAOYSA-N
XLogP2.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-nitro-5-phenylthiophen-3-amine?
The IUPAC name of 2-nitro-5-phenylthiophen-3-amine (CID 83617416) is 2-nitro-5-phenylthiophen-3-amine.
What is the SMILES notation for 2-nitro-5-phenylthiophen-3-amine?
The canonical SMILES for 2-nitro-5-phenylthiophen-3-amine is Nc1cc(-c2ccccc2)sc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-5-phenylthiophen-3-amine?
The InChIKey is GQHSVSPBONRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-8-6-9(15-10(8)12(13)14)7-4-2-1-3-5-7/h1-6H,11H2.
What are the key properties of 2-nitro-5-phenylthiophen-3-amine?
2-nitro-5-phenylthiophen-3-amine has a molecular weight of 220.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-phenylthiophen-3-amine is sourced from PubChem (CID 83617416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).