1-ethyl-2-(sulfanylmethyl)indol-6-ol

C11H13NOS — CID 117180858

IUPAC1-ethyl-2-(sulfanylmethyl)indol-6-ol
SMILESCCn1c(CS)cc2ccc(O)cc21
InChIInChI=1S/C11H13NOS/c1-2-12-9(7-14)5-8-3-4-10(13)6-11(8)12/h3-6,13-14H,2,7H2,1H3
InChIKeyWFTARZISNHVTJX-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.80
Rot. Bonds2

About 1-ethyl-2-(sulfanylmethyl)indol-6-ol

1-ethyl-2-(sulfanylmethyl)indol-6-ol (PubChem CID 117180858) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-ethyl-2-(sulfanylmethyl)indol-6-ol.

Molecular Properties

Compound Name1-ethyl-2-(sulfanylmethyl)indol-6-ol
PubChem CID117180858
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-ethyl-2-(sulfanylmethyl)indol-6-ol
SMILESCCn1c(CS)cc2ccc(O)cc21
InChIInChI=1S/C11H13NOS/c1-2-12-9(7-14)5-8-3-4-10(13)6-11(8)12/h3-6,13-14H,2,7H2,1H3
InChIKeyWFTARZISNHVTJX-UHFFFAOYSA-N
XLogP2.80
TPSA25.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(sulfanylmethyl)indol-6-ol?
The IUPAC name of 1-ethyl-2-(sulfanylmethyl)indol-6-ol (CID 117180858) is 1-ethyl-2-(sulfanylmethyl)indol-6-ol.
What is the SMILES notation for 1-ethyl-2-(sulfanylmethyl)indol-6-ol?
The canonical SMILES for 1-ethyl-2-(sulfanylmethyl)indol-6-ol is CCn1c(CS)cc2ccc(O)cc21.
What is the InChIKey of 1-ethyl-2-(sulfanylmethyl)indol-6-ol?
The InChIKey is WFTARZISNHVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-12-9(7-14)5-8-3-4-10(13)6-11(8)12/h3-6,13-14H,2,7H2,1H3.
What are the key properties of 1-ethyl-2-(sulfanylmethyl)indol-6-ol?
1-ethyl-2-(sulfanylmethyl)indol-6-ol has a molecular weight of 207.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(sulfanylmethyl)indol-6-ol is sourced from PubChem (CID 117180858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).