2-iodo-5-nitro-1-benzothiophen-4-amine

C8H5IN2O2S — CID 130792511

IUPAC2-iodo-5-nitro-1-benzothiophen-4-amine
SMILESNc1c([N+](=O)[O-])ccc2sc(I)cc12
InChIInChI=1S/C8H5IN2O2S/c9-7-3-4-6(14-7)2-1-5(8(4)10)11(12)13/h1-3H,10H2
InChIKeyGPUZPJIZPMJPAB-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.00
Rot. Bonds1

About 2-iodo-5-nitro-1-benzothiophen-4-amine

2-iodo-5-nitro-1-benzothiophen-4-amine (PubChem CID 130792511) has the molecular formula C8H5IN2O2S and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-iodo-5-nitro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-iodo-5-nitro-1-benzothiophen-4-amine
PubChem CID130792511
Molecular FormulaC8H5IN2O2S
Molecular Weight320.11 g/mol
Exact Mass319.91
IUPAC Name2-iodo-5-nitro-1-benzothiophen-4-amine
SMILESNc1c([N+](=O)[O-])ccc2sc(I)cc12
InChIInChI=1S/C8H5IN2O2S/c9-7-3-4-6(14-7)2-1-5(8(4)10)11(12)13/h1-3H,10H2
InChIKeyGPUZPJIZPMJPAB-UHFFFAOYSA-N
XLogP3.00
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,8-dinitrodibenzothiophene-3,7-diamine
CID 88898497
6-chloro-2-iodo-5-nitro-1-benzothiophene
CID 131001336
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
1-(3-amino-2-iodo-4-nitrophenyl)ethanone
CID 171027277
4-nitro-1-benzothiophene-2,6-diamine
CID 130925410
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
2-amino-3-nitro-1-benzothiophen-5-ol
CID 131031307
3-bromo-2-nitro-1-benzothiophen-5-amine
CID 131190918
2-chloro-3-nitro-1-benzothiophen-5-amine
CID 131059801
1-nitrodibenzothiophen-2-amine
CID 121008332
2,4-dibromo-7-nitro-1-benzothiophene
CID 130826552
4-amino-3-nitronaphthalene-1-carbonitrile
CID 14678709

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-1-benzothiophen-4-amine?
The IUPAC name of 2-iodo-5-nitro-1-benzothiophen-4-amine (CID 130792511) is 2-iodo-5-nitro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-iodo-5-nitro-1-benzothiophen-4-amine?
The canonical SMILES for 2-iodo-5-nitro-1-benzothiophen-4-amine is Nc1c([N+](=O)[O-])ccc2sc(I)cc12.
What is the InChIKey of 2-iodo-5-nitro-1-benzothiophen-4-amine?
The InChIKey is GPUZPJIZPMJPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2S/c9-7-3-4-6(14-7)2-1-5(8(4)10)11(12)13/h1-3H,10H2.
What are the key properties of 2-iodo-5-nitro-1-benzothiophen-4-amine?
2-iodo-5-nitro-1-benzothiophen-4-amine has a molecular weight of 320.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-1-benzothiophen-4-amine is sourced from PubChem (CID 130792511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).