1-(5-sulfanyl-1H-indol-3-yl)ethanone

C10H9NOS — CID 163965860

IUPAC1-(5-sulfanyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc(S)cc12
InChIInChI=1S/C10H9NOS/c1-6(12)9-5-11-10-3-2-7(13)4-8(9)10/h2-5,11,13H,1H3
InChIKeySLRXNYWUKMAGIB-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.66
Rot. Bonds1

About 1-(5-sulfanyl-1H-indol-3-yl)ethanone

1-(5-sulfanyl-1H-indol-3-yl)ethanone (PubChem CID 163965860) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(5-sulfanyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-sulfanyl-1H-indol-3-yl)ethanone
PubChem CID163965860
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-(5-sulfanyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc(S)cc12
InChIInChI=1S/C10H9NOS/c1-6(12)9-5-11-10-3-2-7(13)4-8(9)10/h2-5,11,13H,1H3
InChIKeySLRXNYWUKMAGIB-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
3-acetyl-1H-indole-5-carbonitrile
CID 28505
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311

Frequently Asked Questions

What is the IUPAC name of 1-(5-sulfanyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(5-sulfanyl-1H-indol-3-yl)ethanone (CID 163965860) is 1-(5-sulfanyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(5-sulfanyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(5-sulfanyl-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2ccc(S)cc12.
What is the InChIKey of 1-(5-sulfanyl-1H-indol-3-yl)ethanone?
The InChIKey is SLRXNYWUKMAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-6(12)9-5-11-10-3-2-7(13)4-8(9)10/h2-5,11,13H,1H3.
What are the key properties of 1-(5-sulfanyl-1H-indol-3-yl)ethanone?
1-(5-sulfanyl-1H-indol-3-yl)ethanone has a molecular weight of 191.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-sulfanyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 163965860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).