2-(1-benzylindol-5-yl)ethanethiol

C17H17NS — CID 143923933

IUPAC2-(1-benzylindol-5-yl)ethanethiol
SMILESSCCc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H17NS/c19-11-9-14-6-7-17-16(12-14)8-10-18(17)13-15-4-2-1-3-5-15/h1-8,10,12,19H,9,11,13H2
InChIKeyDCHWYHMGPHROFC-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.16
Rot. Bonds4

About 2-(1-benzylindol-5-yl)ethanethiol

2-(1-benzylindol-5-yl)ethanethiol (PubChem CID 143923933) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(1-benzylindol-5-yl)ethanethiol.

Molecular Properties

Compound Name2-(1-benzylindol-5-yl)ethanethiol
PubChem CID143923933
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name2-(1-benzylindol-5-yl)ethanethiol
SMILESSCCc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H17NS/c19-11-9-14-6-7-17-16(12-14)8-10-18(17)13-15-4-2-1-3-5-15/h1-8,10,12,19H,9,11,13H2
InChIKeyDCHWYHMGPHROFC-UHFFFAOYSA-N
XLogP4.16
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-benzyl-5-ethenylindole
CID 71373149
(1-benzylindol-5-yl)boronic acid
CID 134128465
3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
CID 170866731
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
CID 58460273
2-[(1-benzylindol-5-yl)methyl]-5-chlorobenzoic acid
CID 157427353
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole
CID 122370320

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-5-yl)ethanethiol?
The IUPAC name of 2-(1-benzylindol-5-yl)ethanethiol (CID 143923933) is 2-(1-benzylindol-5-yl)ethanethiol.
What is the SMILES notation for 2-(1-benzylindol-5-yl)ethanethiol?
The canonical SMILES for 2-(1-benzylindol-5-yl)ethanethiol is SCCc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylindol-5-yl)ethanethiol?
The InChIKey is DCHWYHMGPHROFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c19-11-9-14-6-7-17-16(12-14)8-10-18(17)13-15-4-2-1-3-5-15/h1-8,10,12,19H,9,11,13H2.
What are the key properties of 2-(1-benzylindol-5-yl)ethanethiol?
2-(1-benzylindol-5-yl)ethanethiol has a molecular weight of 267.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-5-yl)ethanethiol is sourced from PubChem (CID 143923933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).