5-methylsulfanyloxy-1H-indole

C9H9NOS — CID 139836435

IUPAC5-methylsulfanyloxy-1H-indole
SMILESCSOc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NOS/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyHOVOJFAHZCKERZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.82
Rot. Bonds2

About 5-methylsulfanyloxy-1H-indole

5-methylsulfanyloxy-1H-indole (PubChem CID 139836435) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-methylsulfanyloxy-1H-indole.

Molecular Properties

Compound Name5-methylsulfanyloxy-1H-indole
PubChem CID139836435
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name5-methylsulfanyloxy-1H-indole
SMILESCSOc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NOS/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKeyHOVOJFAHZCKERZ-UHFFFAOYSA-N
XLogP2.82
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenoxy)-1H-indole
CID 19042832
5-propan-2-yloxy-1H-indole
CID 16738054
1H-indol-5-yl methanesulfinate
CID 57242710
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
5-heptoxy-1H-indole
CID 80642434
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
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
N-methylsulfanyl-1H-indol-5-amine
CID 143039504

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyloxy-1H-indole?
The IUPAC name of 5-methylsulfanyloxy-1H-indole (CID 139836435) is 5-methylsulfanyloxy-1H-indole.
What is the SMILES notation for 5-methylsulfanyloxy-1H-indole?
The canonical SMILES for 5-methylsulfanyloxy-1H-indole is CSOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-methylsulfanyloxy-1H-indole?
The InChIKey is HOVOJFAHZCKERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3.
What are the key properties of 5-methylsulfanyloxy-1H-indole?
5-methylsulfanyloxy-1H-indole has a molecular weight of 179.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyloxy-1H-indole is sourced from PubChem (CID 139836435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).