N-(1H-indol-2-yl)thiohydroxylamine

C8H8N2S — CID 152618520

IUPACN-(1H-indol-2-yl)thiohydroxylamine
SMILESSNc1cc2ccccc2[nH]1
InChIInChI=1S/C8H8N2S/c11-10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-11H
InChIKeyZBAKFRJMIXXBSD-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.42
Rot. Bonds1

About N-(1H-indol-2-yl)thiohydroxylamine

N-(1H-indol-2-yl)thiohydroxylamine (PubChem CID 152618520) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-(1H-indol-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(1H-indol-2-yl)thiohydroxylamine
PubChem CID152618520
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-(1H-indol-2-yl)thiohydroxylamine
SMILESSNc1cc2ccccc2[nH]1
InChIInChI=1S/C8H8N2S/c11-10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-11H
InChIKeyZBAKFRJMIXXBSD-UHFFFAOYSA-N
XLogP2.42
TPSA27.82 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
N-prop-2-enyl-1H-indol-2-amine
CID 70407223
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
chloro N-(1H-indol-2-yl)carbamate
CID 174677081
methyl N-(1H-indol-2-yl)carbamate
CID 68950849
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
CID 151637556
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
2-bromo-1H-indole
CID 11805631
N-(3-methoxyphenyl)-1H-indol-2-amine
CID 175140738
2-methyl-1H-indole;hydrofluoride
CID 163912177
bis(1H-indol-2-yl)phosphane
CID 151093221

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-yl)thiohydroxylamine?
The IUPAC name of N-(1H-indol-2-yl)thiohydroxylamine (CID 152618520) is N-(1H-indol-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(1H-indol-2-yl)thiohydroxylamine?
The canonical SMILES for N-(1H-indol-2-yl)thiohydroxylamine is SNc1cc2ccccc2[nH]1.
What is the InChIKey of N-(1H-indol-2-yl)thiohydroxylamine?
The InChIKey is ZBAKFRJMIXXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c11-10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-11H.
What are the key properties of N-(1H-indol-2-yl)thiohydroxylamine?
N-(1H-indol-2-yl)thiohydroxylamine has a molecular weight of 164.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-yl)thiohydroxylamine is sourced from PubChem (CID 152618520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).