S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane

C12H20N2S — CID 178151839

IUPACS-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane
SMILESCC.Cc1cc2c(cc1SN)NC(C)C2
InChIInChI=1S/C10H14N2S.C2H6/c1-6-3-8-4-7(2)12-9(8)5-10(6)13-11;1-2/h3,5,7,12H,4,11H2,1-2H3;1-2H3
InChIKeyQTXAYAVNJPFKEY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.34
Rot. Bonds1

About S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane

S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane (PubChem CID 178151839) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane
PubChem CID178151839
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameS-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane
SMILESCC.Cc1cc2c(cc1SN)NC(C)C2
InChIInChI=1S/C10H14N2S.C2H6/c1-6-3-8-4-7(2)12-9(8)5-10(6)13-11;1-2/h3,5,7,12H,4,11H2,1-2H3;1-2H3
InChIKeyQTXAYAVNJPFKEY-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane?
The IUPAC name of S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane (CID 178151839) is S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane.
What is the SMILES notation for S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane?
The canonical SMILES for S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane is CC.Cc1cc2c(cc1SN)NC(C)C2.
What is the InChIKey of S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane?
The InChIKey is QTXAYAVNJPFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S.C2H6/c1-6-3-8-4-7(2)12-9(8)5-10(6)13-11;1-2/h3,5,7,12H,4,11H2,1-2H3;1-2H3.
What are the key properties of S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane?
S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane has a molecular weight of 224.37 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane is sourced from PubChem (CID 178151839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).