3-iodo-4-methyl-1-benzothiophen-6-amine

C9H8INS — CID 130816506

IUPAC3-iodo-4-methyl-1-benzothiophen-6-amine
SMILESCc1cc(N)cc2scc(I)c12
InChIInChI=1S/C9H8INS/c1-5-2-6(11)3-8-9(5)7(10)4-12-8/h2-4H,11H2,1H3
InChIKeyDOUPPLBHJGASNU-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.40
Rot. Bonds

About 3-iodo-4-methyl-1-benzothiophen-6-amine

3-iodo-4-methyl-1-benzothiophen-6-amine (PubChem CID 130816506) has the molecular formula C9H8INS and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-iodo-4-methyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-iodo-4-methyl-1-benzothiophen-6-amine
PubChem CID130816506
Molecular FormulaC9H8INS
Molecular Weight289.14 g/mol
Exact Mass288.94
IUPAC Name3-iodo-4-methyl-1-benzothiophen-6-amine
SMILESCc1cc(N)cc2scc(I)c12
InChIInChI=1S/C9H8INS/c1-5-2-6(11)3-8-9(5)7(10)4-12-8/h2-4H,11H2,1H3
InChIKeyDOUPPLBHJGASNU-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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Related Compounds

3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
6-amino-4-methyl-1-benzothiophen-3-ol
CID 130878558
4-bromo-3-methyl-1-benzothiophen-6-amine
CID 130961025
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
1-benzothiophene-3,4,6-triamine
CID 130971655
4-iodo-3-methyl-6-methylsulfanyl-1-benzothiophene
CID 130821572
6-iodo-5-methyl-1-benzothiophen-3-amine
CID 130788969
3,4,6-trimethyl-1-benzothiophene
CID 20824554
6-bromo-3-iodo-1-benzothiophene-4-carbonitrile
CID 130926418
3,6-diamino-1-benzothiophene-4-carbonitrile
CID 131169584
3-iodo-4-nitro-1-benzothiophene-6-thiol
CID 131150656
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-1-benzothiophen-6-amine?
The IUPAC name of 3-iodo-4-methyl-1-benzothiophen-6-amine (CID 130816506) is 3-iodo-4-methyl-1-benzothiophen-6-amine.
What is the SMILES notation for 3-iodo-4-methyl-1-benzothiophen-6-amine?
The canonical SMILES for 3-iodo-4-methyl-1-benzothiophen-6-amine is Cc1cc(N)cc2scc(I)c12.
What is the InChIKey of 3-iodo-4-methyl-1-benzothiophen-6-amine?
The InChIKey is DOUPPLBHJGASNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INS/c1-5-2-6(11)3-8-9(5)7(10)4-12-8/h2-4H,11H2,1H3.
What are the key properties of 3-iodo-4-methyl-1-benzothiophen-6-amine?
3-iodo-4-methyl-1-benzothiophen-6-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 3-iodo-4-methyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130816506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).