2-formylbenzo[b]thiophene-3-selenol

C9H5OSSe — CID 12506015

IUPAC—
SMILESO=Cc1sc2ccccc2c1[Se]
InChIInChI=1S/C9H5OSSe/c10-5-8-9(12)6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyDEWYCVZCPRMSIN-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.51
Rot. Bonds1

About 2-formylbenzo[b]thiophene-3-selenol

2-formylbenzo[b]thiophene-3-selenol (PubChem CID 12506015) has the molecular formula C9H5OSSe and a molecular weight of 240.16 g/mol.

Molecular Properties

Compound Name2-formylbenzo[b]thiophene-3-selenol
PubChem CID12506015
Molecular FormulaC9H5OSSe
Molecular Weight240.16 g/mol
Exact Mass240.92
IUPAC Name—
SMILESO=Cc1sc2ccccc2c1[Se]
InChIInChI=1S/C9H5OSSe/c10-5-8-9(12)6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyDEWYCVZCPRMSIN-UHFFFAOYSA-N
XLogP1.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
CID 102393562
3-nitro-1-benzothiophene-2-carbaldehyde
CID 11074576
3-(4-methylphenoxy)-1-benzothiophene-2-carbaldehyde
CID 141399703
3-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carbaldehyde
CID 138574709
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
(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;formaldehyde
CID 20556925
dibenzothiophene-2-carbaldehyde
CID 641360
dibenzothiophene;methane
CID 162233710
3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
CID 153139876
3-formyl-1-benzothiophene-2-carboxylic acid
CID 119088454

Frequently Asked Questions

What is the IUPAC name of 2-formylbenzo[b]thiophene-3-selenol?
The IUPAC name of 2-formylbenzo[b]thiophene-3-selenol (CID 12506015) is not available.
What is the SMILES notation for 2-formylbenzo[b]thiophene-3-selenol?
The canonical SMILES for 2-formylbenzo[b]thiophene-3-selenol is O=Cc1sc2ccccc2c1[Se].
What is the InChIKey of 2-formylbenzo[b]thiophene-3-selenol?
The InChIKey is DEWYCVZCPRMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5OSSe/c10-5-8-9(12)6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of 2-formylbenzo[b]thiophene-3-selenol?
2-formylbenzo[b]thiophene-3-selenol has a molecular weight of 240.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylbenzo[b]thiophene-3-selenol is sourced from PubChem (CID 12506015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).