5-nitrothiophen-2-amine;hydrochloride

C4H5ClN2O2S — CID 115008612

IUPAC5-nitrothiophen-2-amine;hydrochloride
SMILESCl.Nc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C4H4N2O2S.ClH/c5-3-1-2-4(9-3)6(7)8;/h1-2H,5H2;1H
InChIKeyOHKMNZSYZDGNCM-UHFFFAOYSA-N
MW180.62 g/mol
LogP1.66
Rot. Bonds1

About 5-nitrothiophen-2-amine;hydrochloride

5-nitrothiophen-2-amine;hydrochloride (PubChem CID 115008612) has the molecular formula C4H5ClN2O2S and a molecular weight of 180.62 g/mol. Its IUPAC name is 5-nitrothiophen-2-amine;hydrochloride.

Molecular Properties

Compound Name5-nitrothiophen-2-amine;hydrochloride
PubChem CID115008612
Molecular FormulaC4H5ClN2O2S
Molecular Weight180.62 g/mol
Exact Mass179.98
IUPAC Name5-nitrothiophen-2-amine;hydrochloride
SMILESCl.Nc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C4H4N2O2S.ClH/c5-3-1-2-4(9-3)6(7)8;/h1-2H,5H2;1H
InChIKeyOHKMNZSYZDGNCM-UHFFFAOYSA-N
XLogP1.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 51.66
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

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CID 10615473
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CID 103601594
2-(1-chloroethyl)-5-nitrothiophene
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Frequently Asked Questions

What is the IUPAC name of 5-nitrothiophen-2-amine;hydrochloride?
The IUPAC name of 5-nitrothiophen-2-amine;hydrochloride (CID 115008612) is 5-nitrothiophen-2-amine;hydrochloride.
What is the SMILES notation for 5-nitrothiophen-2-amine;hydrochloride?
The canonical SMILES for 5-nitrothiophen-2-amine;hydrochloride is Cl.Nc1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitrothiophen-2-amine;hydrochloride?
The InChIKey is OHKMNZSYZDGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S.ClH/c5-3-1-2-4(9-3)6(7)8;/h1-2H,5H2;1H.
What are the key properties of 5-nitrothiophen-2-amine;hydrochloride?
5-nitrothiophen-2-amine;hydrochloride has a molecular weight of 180.62 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrothiophen-2-amine;hydrochloride is sourced from PubChem (CID 115008612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).