7-iodo-1-benzothiophene-2,3-diamine

C8H7IN2S — CID 131001187

IUPAC7-iodo-1-benzothiophene-2,3-diamine
SMILESNc1sc2c(I)cccc2c1N
InChIInChI=1S/C8H7IN2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H,10-11H2
InChIKeyXHPAYLJKPSNEID-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.67
Rot. Bonds

About 7-iodo-1-benzothiophene-2,3-diamine

7-iodo-1-benzothiophene-2,3-diamine (PubChem CID 131001187) has the molecular formula C8H7IN2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 7-iodo-1-benzothiophene-2,3-diamine.

Molecular Properties

Compound Name7-iodo-1-benzothiophene-2,3-diamine
PubChem CID131001187
Molecular FormulaC8H7IN2S
Molecular Weight290.13 g/mol
Exact Mass289.94
IUPAC Name7-iodo-1-benzothiophene-2,3-diamine
SMILESNc1sc2c(I)cccc2c1N
InChIInChI=1S/C8H7IN2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H,10-11H2
InChIKeyXHPAYLJKPSNEID-UHFFFAOYSA-N
XLogP2.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130970896
7-iodo-1-benzothiophene-2,3-diol
CID 131215768
2,7-diiodo-3-methyl-1-benzothiophene
CID 130914423
2-(chloromethyl)-7-iodo-1-benzothiophene-3-thiol
CID 130988103
2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130885028
3-bromo-7-iodo-1-benzothiophene
CID 119083473
7-iodo-2-methyl-3-nitro-1-benzothiophene
CID 130805542
2-ethoxy-7-iodo-1-benzothiophene-3-thiol
CID 130898611
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
4-amino-7-iodo-1-benzothiophene-2-thiol
CID 130951779
2-iodo-3-(trifluoromethyl)-1-benzothiophen-7-amine
CID 131343982
2-fluoro-3-iodo-1-benzothiophene-7-thiol
CID 130855321

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-benzothiophene-2,3-diamine?
The IUPAC name of 7-iodo-1-benzothiophene-2,3-diamine (CID 131001187) is 7-iodo-1-benzothiophene-2,3-diamine.
What is the SMILES notation for 7-iodo-1-benzothiophene-2,3-diamine?
The canonical SMILES for 7-iodo-1-benzothiophene-2,3-diamine is Nc1sc2c(I)cccc2c1N.
What is the InChIKey of 7-iodo-1-benzothiophene-2,3-diamine?
The InChIKey is XHPAYLJKPSNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H,10-11H2.
What are the key properties of 7-iodo-1-benzothiophene-2,3-diamine?
7-iodo-1-benzothiophene-2,3-diamine has a molecular weight of 290.13 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-benzothiophene-2,3-diamine is sourced from PubChem (CID 131001187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).