6-iodo-7-methyl-1-benzothiophen-4-amine

C9H8INS — CID 130870594

IUPAC6-iodo-7-methyl-1-benzothiophen-4-amine
SMILESCc1c(I)cc(N)c2ccsc12
InChIInChI=1S/C9H8INS/c1-5-7(10)4-8(11)6-2-3-12-9(5)6/h2-4H,11H2,1H3
InChIKeyDPPRRVPODAXRPC-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.40
Rot. Bonds

About 6-iodo-7-methyl-1-benzothiophen-4-amine

6-iodo-7-methyl-1-benzothiophen-4-amine (PubChem CID 130870594) has the molecular formula C9H8INS and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-iodo-7-methyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name6-iodo-7-methyl-1-benzothiophen-4-amine
PubChem CID130870594
Molecular FormulaC9H8INS
Molecular Weight289.14 g/mol
Exact Mass288.94
IUPAC Name6-iodo-7-methyl-1-benzothiophen-4-amine
SMILESCc1c(I)cc(N)c2ccsc12
InChIInChI=1S/C9H8INS/c1-5-7(10)4-8(11)6-2-3-12-9(5)6/h2-4H,11H2,1H3
InChIKeyDPPRRVPODAXRPC-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

4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
4-amino-7-methyl-1-benzothiophene-6-carboxylic acid
CID 131076269
6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
CID 131218792
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
7-bromo-6-ethyl-1-benzothiophen-4-amine
CID 131091615
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methyl-1-benzothiophen-4-amine?
The IUPAC name of 6-iodo-7-methyl-1-benzothiophen-4-amine (CID 130870594) is 6-iodo-7-methyl-1-benzothiophen-4-amine.
What is the SMILES notation for 6-iodo-7-methyl-1-benzothiophen-4-amine?
The canonical SMILES for 6-iodo-7-methyl-1-benzothiophen-4-amine is Cc1c(I)cc(N)c2ccsc12.
What is the InChIKey of 6-iodo-7-methyl-1-benzothiophen-4-amine?
The InChIKey is DPPRRVPODAXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INS/c1-5-7(10)4-8(11)6-2-3-12-9(5)6/h2-4H,11H2,1H3.
What are the key properties of 6-iodo-7-methyl-1-benzothiophen-4-amine?
6-iodo-7-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 6-iodo-7-methyl-1-benzothiophen-4-amine is sourced from PubChem (CID 130870594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).