3-methanimidoyl-1-benzothiophen-2-ol

C9H7NOS — CID 136969989

IUPAC3-methanimidoyl-1-benzothiophen-2-ol
SMILES[H]/N=C/c1c(O)sc2ccccc12
InChIInChI=1S/C9H7NOS/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H/b10-5+
InChIKeyQJCGEZKYSYWSFP-BJMVGYQFSA-N
MW177.23 g/mol
LogP2.60
Rot. Bonds1

About 3-methanimidoyl-1-benzothiophen-2-ol

3-methanimidoyl-1-benzothiophen-2-ol (PubChem CID 136969989) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methanimidoyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-methanimidoyl-1-benzothiophen-2-ol
PubChem CID136969989
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3-methanimidoyl-1-benzothiophen-2-ol
SMILES[H]/N=C/c1c(O)sc2ccccc12
InChIInChI=1S/C9H7NOS/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H/b10-5+
InChIKeyQJCGEZKYSYWSFP-BJMVGYQFSA-N
XLogP2.60
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-[(Z)-but-1-enyl]-1-benzothiophen-2-yl]methanimine
CID 138722950
[3-(3-methylbut-1-enyl)-1-benzothiophen-2-yl]methanimine
CID 123911253
N-(2-methanimidoyl-1-benzothiophen-3-yl)-2-phenylpropan-1-imine
CID 142468868
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
dibenzothiophene;methane
CID 162233710
3-propyl-1-benzothiophen-2-ol
CID 69483518
3-bromo-1-benzothiophene-2-thiol
CID 130235749
3-formyl-1-benzothiophene-2-carboxylic acid
CID 119088454
(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-en-1-imine
CID 160695721
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-1-benzothiophen-2-ol?
The IUPAC name of 3-methanimidoyl-1-benzothiophen-2-ol (CID 136969989) is 3-methanimidoyl-1-benzothiophen-2-ol.
What is the SMILES notation for 3-methanimidoyl-1-benzothiophen-2-ol?
The canonical SMILES for 3-methanimidoyl-1-benzothiophen-2-ol is [H]/N=C/c1c(O)sc2ccccc12.
What is the InChIKey of 3-methanimidoyl-1-benzothiophen-2-ol?
The InChIKey is QJCGEZKYSYWSFP-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H7NOS/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H/b10-5+.
What are the key properties of 3-methanimidoyl-1-benzothiophen-2-ol?
3-methanimidoyl-1-benzothiophen-2-ol has a molecular weight of 177.23 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-1-benzothiophen-2-ol is sourced from PubChem (CID 136969989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).