1-benzothiophen-2-ylmethanamine;hydroiodide

C9H10INS — CID 175928794

IUPAC1-benzothiophen-2-ylmethanamine;hydroiodide
SMILESI.NCc1cc2ccccc2s1
InChIInChI=1S/C9H9NS.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5H,6,10H2;1H
InChIKeyZLRPTRIPVIUDKN-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.98
Rot. Bonds1

About 1-benzothiophen-2-ylmethanamine;hydroiodide

1-benzothiophen-2-ylmethanamine;hydroiodide (PubChem CID 175928794) has the molecular formula C9H10INS and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethanamine;hydroiodide.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethanamine;hydroiodide
PubChem CID175928794
Molecular FormulaC9H10INS
Molecular Weight291.16 g/mol
Exact Mass290.96
IUPAC Name1-benzothiophen-2-ylmethanamine;hydroiodide
SMILESI.NCc1cc2ccccc2s1
InChIInChI=1S/C9H9NS.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5H,6,10H2;1H
InChIKeyZLRPTRIPVIUDKN-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
CID 117176262
2-(fluoromethyl)-1-benzothiophene
CID 119085404
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
1-benzothiophen-2-amine;hydrochloride
CID 66906726
2-butyl-1-benzothiophene
CID 70061043
1-(1-benzothiophen-2-yl)propan-2-ylhydrazine
CID 119083055
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
1-benzothiophen-2-ylmethyl(ethyl)azanium
CID 7175906
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
2-(ethenoxymethyl)-1-benzothiophene
CID 89458647
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylmethanamine;hydroiodide?
The IUPAC name of 1-benzothiophen-2-ylmethanamine;hydroiodide (CID 175928794) is 1-benzothiophen-2-ylmethanamine;hydroiodide.
What is the SMILES notation for 1-benzothiophen-2-ylmethanamine;hydroiodide?
The canonical SMILES for 1-benzothiophen-2-ylmethanamine;hydroiodide is I.NCc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethanamine;hydroiodide?
The InChIKey is ZLRPTRIPVIUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS.HI/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5H,6,10H2;1H.
What are the key properties of 1-benzothiophen-2-ylmethanamine;hydroiodide?
1-benzothiophen-2-ylmethanamine;hydroiodide has a molecular weight of 291.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylmethanamine;hydroiodide is sourced from PubChem (CID 175928794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).