N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine

C13H19NS — CID 170245479

IUPACN-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine
SMILESCC1CCC(C)(C)c2ccc(NS)cc21
InChIInChI=1S/C13H19NS/c1-9-6-7-13(2,3)12-5-4-10(14-15)8-11(9)12/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeySLSOBZNPRVMEIL-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.12
Rot. Bonds1

About N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine

N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine (PubChem CID 170245479) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine
PubChem CID170245479
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine
SMILESCC1CCC(C)(C)c2ccc(NS)cc21
InChIInChI=1S/C13H19NS/c1-9-6-7-13(2,3)12-5-4-10(14-15)8-11(9)12/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeySLSOBZNPRVMEIL-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine?
The IUPAC name of N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine (CID 170245479) is N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine?
The canonical SMILES for N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine is CC1CCC(C)(C)c2ccc(NS)cc21.
What is the InChIKey of N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine?
The InChIKey is SLSOBZNPRVMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-6-7-13(2,3)12-5-4-10(14-15)8-11(9)12/h4-5,8-9,14-15H,6-7H2,1-3H3.
What are the key properties of N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine?
N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine has a molecular weight of 221.37 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)thiohydroxylamine is sourced from PubChem (CID 170245479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).