methyl 3-formyl-1H-indole-2-sulfinate

C10H9NO3S — CID 11954907

IUPACmethyl 3-formyl-1H-indole-2-sulfinate
SMILESCOS(=O)c1[nH]c2ccccc2c1C=O
InChIInChI=1S/C10H9NO3S/c1-14-15(13)10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
InChIKeyOWWULYVDNVCJLP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.65
Rot. Bonds3

About methyl 3-formyl-1H-indole-2-sulfinate

methyl 3-formyl-1H-indole-2-sulfinate (PubChem CID 11954907) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 3-formyl-1H-indole-2-sulfinate.

Molecular Properties

Compound Namemethyl 3-formyl-1H-indole-2-sulfinate
PubChem CID11954907
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 3-formyl-1H-indole-2-sulfinate
SMILESCOS(=O)c1[nH]c2ccccc2c1C=O
InChIInChI=1S/C10H9NO3S/c1-14-15(13)10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
InChIKeyOWWULYVDNVCJLP-UHFFFAOYSA-N
XLogP1.65
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Formyl-2-methylindole
CID 73166
2-Phenylindole-3-carboxaldehyde
CID 613305
Brassicanal A
CID 443054
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
Cyclobrassinone
CID 405275
Carbazoquinocin C
CID 10335508
2-(4-Fluorophenyl)-1H-indole-3-carboxaldehyde
CID 617264
2-(tert-butyl)-1H-indole-3-carbaldehyde
CID 2760965
5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
CID 3745756
3-Methyl-1H-indole-2-carbaldehyde
CID 277260
1H-Indole-3-carboxaldehyde, 2-mercapto-
CID 10910114
2-Methyl-1H-indole-7-carbaldehyde
CID 71310970

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-1H-indole-2-sulfinate?
The IUPAC name of methyl 3-formyl-1H-indole-2-sulfinate (CID 11954907) is methyl 3-formyl-1H-indole-2-sulfinate.
What is the SMILES notation for methyl 3-formyl-1H-indole-2-sulfinate?
The canonical SMILES for methyl 3-formyl-1H-indole-2-sulfinate is COS(=O)c1[nH]c2ccccc2c1C=O.
What is the InChIKey of methyl 3-formyl-1H-indole-2-sulfinate?
The InChIKey is OWWULYVDNVCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-14-15(13)10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3.
What are the key properties of methyl 3-formyl-1H-indole-2-sulfinate?
methyl 3-formyl-1H-indole-2-sulfinate has a molecular weight of 223.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-1H-indole-2-sulfinate is sourced from PubChem (CID 11954907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).