2-iodo-3-methyl-1-benzothiophen-4-amine

C9H8INS — CID 130788970

IUPAC2-iodo-3-methyl-1-benzothiophen-4-amine
SMILESCc1c(I)sc2cccc(N)c12
InChIInChI=1S/C9H8INS/c1-5-8-6(11)3-2-4-7(8)12-9(5)10/h2-4H,11H2,1H3
InChIKeySFOORRGTJGFARZ-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.40
Rot. Bonds

About 2-iodo-3-methyl-1-benzothiophen-4-amine

2-iodo-3-methyl-1-benzothiophen-4-amine (PubChem CID 130788970) has the molecular formula C9H8INS and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-iodo-3-methyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-iodo-3-methyl-1-benzothiophen-4-amine
PubChem CID130788970
Molecular FormulaC9H8INS
Molecular Weight289.14 g/mol
Exact Mass288.94
IUPAC Name2-iodo-3-methyl-1-benzothiophen-4-amine
SMILESCc1c(I)sc2cccc(N)c12
InChIInChI=1S/C9H8INS/c1-5-8-6(11)3-2-4-7(8)12-9(5)10/h2-4H,11H2,1H3
InChIKeySFOORRGTJGFARZ-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-1-benzothiophen-4-amine?
The IUPAC name of 2-iodo-3-methyl-1-benzothiophen-4-amine (CID 130788970) is 2-iodo-3-methyl-1-benzothiophen-4-amine.
What is the SMILES notation for 2-iodo-3-methyl-1-benzothiophen-4-amine?
The canonical SMILES for 2-iodo-3-methyl-1-benzothiophen-4-amine is Cc1c(I)sc2cccc(N)c12.
What is the InChIKey of 2-iodo-3-methyl-1-benzothiophen-4-amine?
The InChIKey is SFOORRGTJGFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INS/c1-5-8-6(11)3-2-4-7(8)12-9(5)10/h2-4H,11H2,1H3.
What are the key properties of 2-iodo-3-methyl-1-benzothiophen-4-amine?
2-iodo-3-methyl-1-benzothiophen-4-amine has a molecular weight of 289.14 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-1-benzothiophen-4-amine is sourced from PubChem (CID 130788970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).