N,N-dibutylthiohydroxylamine

C8H19NS — CID 21163218

IUPACN,N-dibutylthiohydroxylamine
SMILESCCCCN(S)CCCC
InChIInChI=1S/C8H19NS/c1-3-5-7-9(10)8-6-4-2/h10H,3-8H2,1-2H3
InChIKeyWVGQYNKWWPBXTB-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.73
Rot. Bonds6

About N,N-dibutylthiohydroxylamine

N,N-dibutylthiohydroxylamine (PubChem CID 21163218) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N,N-dibutylthiohydroxylamine.

Molecular Properties

Compound NameN,N-dibutylthiohydroxylamine
PubChem CID21163218
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN,N-dibutylthiohydroxylamine
SMILESCCCCN(S)CCCC
InChIInChI=1S/C8H19NS/c1-3-5-7-9(10)8-6-4-2/h10H,3-8H2,1-2H3
InChIKeyWVGQYNKWWPBXTB-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-dibutylthiohydroxylamine?
The IUPAC name of N,N-dibutylthiohydroxylamine (CID 21163218) is N,N-dibutylthiohydroxylamine.
What is the SMILES notation for N,N-dibutylthiohydroxylamine?
The canonical SMILES for N,N-dibutylthiohydroxylamine is CCCCN(S)CCCC.
What is the InChIKey of N,N-dibutylthiohydroxylamine?
The InChIKey is WVGQYNKWWPBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-5-7-9(10)8-6-4-2/h10H,3-8H2,1-2H3.
What are the key properties of N,N-dibutylthiohydroxylamine?
N,N-dibutylthiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylthiohydroxylamine is sourced from PubChem (CID 21163218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).