N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine

C12H14Cl2N2S — CID 169197274

IUPACN-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine
SMILESCCc1c(CCNS)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H14Cl2N2S/c1-2-7-8-3-4-9(13)11(14)12(8)16-10(7)5-6-15-17/h3-4,15-17H,2,5-6H2,1H3
InChIKeyGTMZXTKXFKSCIG-UHFFFAOYSA-N
MW289.23 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine

N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine (PubChem CID 169197274) has the molecular formula C12H14Cl2N2S and a molecular weight of 289.23 g/mol. Its IUPAC name is N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine
PubChem CID169197274
Molecular FormulaC12H14Cl2N2S
Molecular Weight289.23 g/mol
Exact Mass288.03
IUPAC NameN-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine
SMILESCCc1c(CCNS)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H14Cl2N2S/c1-2-7-8-3-4-9(13)11(14)12(8)16-10(7)5-6-15-17/h3-4,15-17H,2,5-6H2,1H3
InChIKeyGTMZXTKXFKSCIG-UHFFFAOYSA-N
XLogP4.01
TPSA27.82 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
6-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
CID 24761095
4,6-Dichloro-2-methyl-3-aminoethylindole
CID 1381961
1H-Indole-3-ethanamine, 7-chloro-
CID 145709
2-(7-Chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 601380
6-Chloro-2-methyl-1h-indole
CID 271553
1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)
CID 56972198
6,7-dichloro-1H-indole
CID 12272802
1h-Indole,5-chloro-2-ethyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CID 44403358
4-[5-chloro-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine;hydrochloride
CID 44522392
8-Chloro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12361833
2-(3,4-Dichlorophenyl)-1H-indole
CID 36687999

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine (CID 169197274) is N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine is CCc1c(CCNS)[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine?
The InChIKey is GTMZXTKXFKSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2S/c1-2-7-8-3-4-9(13)11(14)12(8)16-10(7)5-6-15-17/h3-4,15-17H,2,5-6H2,1H3.
What are the key properties of N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine?
N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine has a molecular weight of 289.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dichloro-3-ethyl-1H-indol-2-yl)ethyl]thiohydroxylamine is sourced from PubChem (CID 169197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).