3-(ethylsulfanylmethyl)-1-methylindol-4-ol

C12H15NOS — CID 117171494

IUPAC3-(ethylsulfanylmethyl)-1-methylindol-4-ol
SMILESCCSCc1cn(C)c2cccc(O)c12
InChIInChI=1S/C12H15NOS/c1-3-15-8-9-7-13(2)10-5-4-6-11(14)12(9)10/h4-7,14H,3,8H2,1-2H3
InChIKeyZBSASXDBVCDNID-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.14
Rot. Bonds3

About 3-(ethylsulfanylmethyl)-1-methylindol-4-ol

3-(ethylsulfanylmethyl)-1-methylindol-4-ol (PubChem CID 117171494) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-1-methylindol-4-ol.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-1-methylindol-4-ol
PubChem CID117171494
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-(ethylsulfanylmethyl)-1-methylindol-4-ol
SMILESCCSCc1cn(C)c2cccc(O)c12
InChIInChI=1S/C12H15NOS/c1-3-15-8-9-7-13(2)10-5-4-6-11(14)12(9)10/h4-7,14H,3,8H2,1-2H3
InChIKeyZBSASXDBVCDNID-UHFFFAOYSA-N
XLogP3.14
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-1-methylindol-4-ol?
The IUPAC name of 3-(ethylsulfanylmethyl)-1-methylindol-4-ol (CID 117171494) is 3-(ethylsulfanylmethyl)-1-methylindol-4-ol.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-1-methylindol-4-ol?
The canonical SMILES for 3-(ethylsulfanylmethyl)-1-methylindol-4-ol is CCSCc1cn(C)c2cccc(O)c12.
What is the InChIKey of 3-(ethylsulfanylmethyl)-1-methylindol-4-ol?
The InChIKey is ZBSASXDBVCDNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-15-8-9-7-13(2)10-5-4-6-11(14)12(9)10/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-1-methylindol-4-ol?
3-(ethylsulfanylmethyl)-1-methylindol-4-ol has a molecular weight of 221.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-1-methylindol-4-ol is sourced from PubChem (CID 117171494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).