butane;N,N-diethylthiohydroxylamine

C8H21NS — CID 87401044

IUPACbutane;N,N-diethylthiohydroxylamine
SMILESCCCC.CCN(S)CC
InChIInChI=1S/C4H11NS.C4H10/c1-3-5(6)4-2;1-3-4-2/h6H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyAAFQDJBSENPWHC-UHFFFAOYSA-N
MW163.33 g/mol
LogP2.98
Rot. Bonds3

About butane;N,N-diethylthiohydroxylamine

butane;N,N-diethylthiohydroxylamine (PubChem CID 87401044) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is butane;N,N-diethylthiohydroxylamine.

Molecular Properties

Compound Namebutane;N,N-diethylthiohydroxylamine
PubChem CID87401044
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC Namebutane;N,N-diethylthiohydroxylamine
SMILESCCCC.CCN(S)CC
InChIInChI=1S/C4H11NS.C4H10/c1-3-5(6)4-2;1-3-4-2/h6H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyAAFQDJBSENPWHC-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amidosulfenyl chloride, N,N-dibutyl-
CID 81031
N,N'-Dithiobisdiethylamine
CID 139950
N,N-dibutylthiohydroxylamine
CID 21163218
Sulphinylbis(diethylamide)
CID 118519
Sulfane;tetraethylazanium
CID 18424526
Sulfoxylic diamide, tetraethyl-
CID 12243919
Diethylaminosulfur
CID 18359574
Triethyl(sulfanyl)azanium
CID 20528731
N-tert-butylsulfanyl-N-ethylethanamine
CID 134994851
N-[di(propan-2-yl)amino]sulfanyl-N-propan-2-ylpropan-2-amine
CID 12420168
Tris(diethylamino)sulfanium
CID 10361193
Dipropylthallium diethylamide
CID 129687850

Frequently Asked Questions

What is the IUPAC name of butane;N,N-diethylthiohydroxylamine?
The IUPAC name of butane;N,N-diethylthiohydroxylamine (CID 87401044) is butane;N,N-diethylthiohydroxylamine.
What is the SMILES notation for butane;N,N-diethylthiohydroxylamine?
The canonical SMILES for butane;N,N-diethylthiohydroxylamine is CCCC.CCN(S)CC.
What is the InChIKey of butane;N,N-diethylthiohydroxylamine?
The InChIKey is AAFQDJBSENPWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.C4H10/c1-3-5(6)4-2;1-3-4-2/h6H,3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;N,N-diethylthiohydroxylamine?
butane;N,N-diethylthiohydroxylamine has a molecular weight of 163.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N-diethylthiohydroxylamine is sourced from PubChem (CID 87401044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).