3-nitrothiophen-2-amine

C4H4N2O2S — CID 3830768

IUPAC3-nitrothiophen-2-amine
SMILESNc1sccc1[N+](=O)[O-]
InChIInChI=1S/C4H4N2O2S/c5-4-3(6(7)8)1-2-9-4/h1-2H,5H2
InChIKeyOYZHSRJEUNAFRV-UHFFFAOYSA-N
MW144.16 g/mol
LogP1.24
Rot. Bonds1

About 3-nitrothiophen-2-amine

3-nitrothiophen-2-amine (PubChem CID 3830768) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 3-nitrothiophen-2-amine.

Molecular Properties

Compound Name3-nitrothiophen-2-amine
PubChem CID3830768
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name3-nitrothiophen-2-amine
SMILESNc1sccc1[N+](=O)[O-]
InChIInChI=1S/C4H4N2O2S/c5-4-3(6(7)8)1-2-9-4/h1-2H,5H2
InChIKeyOYZHSRJEUNAFRV-UHFFFAOYSA-N
XLogP1.24
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 51.24
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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Related Compounds

1-(3-nitrothiophen-2-yl)pyrrole
CID 19419281
2-ethylsulfinyl-3-nitrothiophene
CID 23273598
2-(2,4-dichlorophenyl)-3-nitrothiophene
CID 46210613
6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
2-butoxy-3-nitrothiophene
CID 15637305
7-amino-4-nitro-1-benzothiophene-3-thiol
CID 130816718
3-[(3-nitrothiophen-2-yl)methylidene]pentane-2,4-dione
CID 67842355
3-nitro-2-phenylthiophene;1H-pyrrole
CID 68501206
1-(3-nitrothiophen-2-yl)pyrazole
CID 12554486
4-chloro-2-nitroaniline
CID 6979
2-nitroaniline;sulfane
CID 175331446
2-nitroaniline;dihydrochloride
CID 69408891

Frequently Asked Questions

What is the IUPAC name of 3-nitrothiophen-2-amine?
The IUPAC name of 3-nitrothiophen-2-amine (CID 3830768) is 3-nitrothiophen-2-amine.
What is the SMILES notation for 3-nitrothiophen-2-amine?
The canonical SMILES for 3-nitrothiophen-2-amine is Nc1sccc1[N+](=O)[O-].
What is the InChIKey of 3-nitrothiophen-2-amine?
The InChIKey is OYZHSRJEUNAFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c5-4-3(6(7)8)1-2-9-4/h1-2H,5H2.
What are the key properties of 3-nitrothiophen-2-amine?
3-nitrothiophen-2-amine has a molecular weight of 144.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrothiophen-2-amine is sourced from PubChem (CID 3830768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).