3-amino-7-methyl-1-benzothiophen-6-ol

C9H9NOS — CID 131096676

IUPAC3-amino-7-methyl-1-benzothiophen-6-ol
SMILESCc1c(O)ccc2c(N)csc12
InChIInChI=1S/C9H9NOS/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-4,11H,10H2,1H3
InChIKeyJJEHPHJKCQINOB-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds

About 3-amino-7-methyl-1-benzothiophen-6-ol

3-amino-7-methyl-1-benzothiophen-6-ol (PubChem CID 131096676) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-amino-7-methyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name3-amino-7-methyl-1-benzothiophen-6-ol
PubChem CID131096676
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3-amino-7-methyl-1-benzothiophen-6-ol
SMILESCc1c(O)ccc2c(N)csc12
InChIInChI=1S/C9H9NOS/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-4,11H,10H2,1H3
InChIKeyJJEHPHJKCQINOB-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-1-benzothiophen-6-ol?
The IUPAC name of 3-amino-7-methyl-1-benzothiophen-6-ol (CID 131096676) is 3-amino-7-methyl-1-benzothiophen-6-ol.
What is the SMILES notation for 3-amino-7-methyl-1-benzothiophen-6-ol?
The canonical SMILES for 3-amino-7-methyl-1-benzothiophen-6-ol is Cc1c(O)ccc2c(N)csc12.
What is the InChIKey of 3-amino-7-methyl-1-benzothiophen-6-ol?
The InChIKey is JJEHPHJKCQINOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-4,11H,10H2,1H3.
What are the key properties of 3-amino-7-methyl-1-benzothiophen-6-ol?
3-amino-7-methyl-1-benzothiophen-6-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 3-amino-7-methyl-1-benzothiophen-6-ol is sourced from PubChem (CID 131096676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).