6-iodo-5-methyl-1-benzothiophen-3-amine

C9H8INS — CID 130788969

IUPAC6-iodo-5-methyl-1-benzothiophen-3-amine
SMILESCc1cc2c(N)csc2cc1I
InChIInChI=1S/C9H8INS/c1-5-2-6-8(11)4-12-9(6)3-7(5)10/h2-4H,11H2,1H3
InChIKeyKZEQSUAABPRYTQ-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.40
Rot. Bonds

About 6-iodo-5-methyl-1-benzothiophen-3-amine

6-iodo-5-methyl-1-benzothiophen-3-amine (PubChem CID 130788969) has the molecular formula C9H8INS and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-iodo-5-methyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-iodo-5-methyl-1-benzothiophen-3-amine
PubChem CID130788969
Molecular FormulaC9H8INS
Molecular Weight289.14 g/mol
Exact Mass288.94
IUPAC Name6-iodo-5-methyl-1-benzothiophen-3-amine
SMILESCc1cc2c(N)csc2cc1I
InChIInChI=1S/C9H8INS/c1-5-2-6-8(11)4-12-9(6)3-7(5)10/h2-4H,11H2,1H3
InChIKeyKZEQSUAABPRYTQ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-methyl-1-benzothiophen-3-amine
CID 131001222
5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
CID 130883990
3-fluoro-5-iodo-1-benzothiophen-6-amine
CID 130788932
5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
3-iodo-4-methyl-1-benzothiophen-6-amine
CID 130816506
6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine
CID 116646192
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine
CID 130839743
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
2-amino-5-iodo-4-methylbenzonitrile
CID 147196701
2,6-diiodo-3,7-dimethylnaphthalene
CID 153291059

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-1-benzothiophen-3-amine?
The IUPAC name of 6-iodo-5-methyl-1-benzothiophen-3-amine (CID 130788969) is 6-iodo-5-methyl-1-benzothiophen-3-amine.
What is the SMILES notation for 6-iodo-5-methyl-1-benzothiophen-3-amine?
The canonical SMILES for 6-iodo-5-methyl-1-benzothiophen-3-amine is Cc1cc2c(N)csc2cc1I.
What is the InChIKey of 6-iodo-5-methyl-1-benzothiophen-3-amine?
The InChIKey is KZEQSUAABPRYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INS/c1-5-2-6-8(11)4-12-9(6)3-7(5)10/h2-4H,11H2,1H3.
What are the key properties of 6-iodo-5-methyl-1-benzothiophen-3-amine?
6-iodo-5-methyl-1-benzothiophen-3-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 6-iodo-5-methyl-1-benzothiophen-3-amine is sourced from PubChem (CID 130788969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).