1H-indol-5-yl methanesulfinate

C9H9NO2S — CID 57242710

IUPAC1H-indol-5-yl methanesulfinate
SMILESCS(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO2S/c1-13(11)12-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyWEFMDRNQJSKKEA-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.84
Rot. Bonds2

About 1H-indol-5-yl methanesulfinate

1H-indol-5-yl methanesulfinate (PubChem CID 57242710) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1H-indol-5-yl methanesulfinate.

Molecular Properties

Compound Name1H-indol-5-yl methanesulfinate
PubChem CID57242710
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1H-indol-5-yl methanesulfinate
SMILESCS(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO2S/c1-13(11)12-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyWEFMDRNQJSKKEA-UHFFFAOYSA-N
XLogP1.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyloxy-1H-indole
CID 139836435
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
5-propan-2-yloxy-1H-indole
CID 16738054
5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
1H-indol-5-yl pentanoate
CID 174735386
N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
CID 110455031
5-cycloheptyloxy-1H-indole
CID 82923976
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
CID 80643447

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl methanesulfinate?
The IUPAC name of 1H-indol-5-yl methanesulfinate (CID 57242710) is 1H-indol-5-yl methanesulfinate.
What is the SMILES notation for 1H-indol-5-yl methanesulfinate?
The canonical SMILES for 1H-indol-5-yl methanesulfinate is CS(=O)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-yl methanesulfinate?
The InChIKey is WEFMDRNQJSKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-13(11)12-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3.
What are the key properties of 1H-indol-5-yl methanesulfinate?
1H-indol-5-yl methanesulfinate has a molecular weight of 195.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl methanesulfinate is sourced from PubChem (CID 57242710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).