6-amino-4-methyl-1-benzothiophen-3-ol

C9H9NOS — CID 130878558

IUPAC6-amino-4-methyl-1-benzothiophen-3-ol
SMILESCc1cc(N)cc2scc(O)c12
InChIInChI=1S/C9H9NOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,11H,10H2,1H3
InChIKeyFIZNSZCHPMWNFJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds

About 6-amino-4-methyl-1-benzothiophen-3-ol

6-amino-4-methyl-1-benzothiophen-3-ol (PubChem CID 130878558) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 6-amino-4-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name6-amino-4-methyl-1-benzothiophen-3-ol
PubChem CID130878558
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name6-amino-4-methyl-1-benzothiophen-3-ol
SMILESCc1cc(N)cc2scc(O)c12
InChIInChI=1S/C9H9NOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,11H,10H2,1H3
InChIKeyFIZNSZCHPMWNFJ-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methyl-1-benzothiophen-6-amine
CID 130816506
4-bromo-3-methyl-1-benzothiophen-6-amine
CID 130961025
1-benzothiophene-3,4,6-triamine
CID 130971655
5,7-dimethyl-1-benzothiophene-3,4-diol
CID 130033071
3,4,6-trimethyl-1-benzothiophene
CID 20824554
4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 131014621
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
3-amino-6-fluoro-1-benzothiophen-4-ol
CID 130956346
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
3,6-diamino-1-benzothiophene-4-carbonitrile
CID 131169584
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-benzothiophen-3-ol?
The IUPAC name of 6-amino-4-methyl-1-benzothiophen-3-ol (CID 130878558) is 6-amino-4-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 6-amino-4-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 6-amino-4-methyl-1-benzothiophen-3-ol is Cc1cc(N)cc2scc(O)c12.
What is the InChIKey of 6-amino-4-methyl-1-benzothiophen-3-ol?
The InChIKey is FIZNSZCHPMWNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-4,11H,10H2,1H3.
What are the key properties of 6-amino-4-methyl-1-benzothiophen-3-ol?
6-amino-4-methyl-1-benzothiophen-3-ol has a molecular weight of 179.24 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130878558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).