N,N-di(butan-2-yl)thiohydroxylamine

C8H19NS — CID 20557249

IUPACN,N-di(butan-2-yl)thiohydroxylamine
SMILESCCC(C)N(S)C(C)CC
InChIInChI=1S/C8H19NS/c1-5-7(3)9(10)8(4)6-2/h7-8,10H,5-6H2,1-4H3
InChIKeyWDLWFLZGJGVSQG-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.73
Rot. Bonds4

About N,N-di(butan-2-yl)thiohydroxylamine

N,N-di(butan-2-yl)thiohydroxylamine (PubChem CID 20557249) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N,N-di(butan-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN,N-di(butan-2-yl)thiohydroxylamine
PubChem CID20557249
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN,N-di(butan-2-yl)thiohydroxylamine
SMILESCCC(C)N(S)C(C)CC
InChIInChI=1S/C8H19NS/c1-5-7(3)9(10)8(4)6-2/h7-8,10H,5-6H2,1-4H3
InChIKeyWDLWFLZGJGVSQG-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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,N-di(butan-2-yl)thiohydroxylamine?
The IUPAC name of N,N-di(butan-2-yl)thiohydroxylamine (CID 20557249) is N,N-di(butan-2-yl)thiohydroxylamine.
What is the SMILES notation for N,N-di(butan-2-yl)thiohydroxylamine?
The canonical SMILES for N,N-di(butan-2-yl)thiohydroxylamine is CCC(C)N(S)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)thiohydroxylamine?
The InChIKey is WDLWFLZGJGVSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-5-7(3)9(10)8(4)6-2/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)thiohydroxylamine?
N,N-di(butan-2-yl)thiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)thiohydroxylamine is sourced from PubChem (CID 20557249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).