2-diaminophosphinothioylsulfanylhexane

C6H17N2PS2 — CID 56627428

IUPAC2-diaminophosphinothioylsulfanylhexane
SMILESCCCCC(C)SP(N)(N)=S
InChIInChI=1S/C6H17N2PS2/c1-3-4-5-6(2)11-9(7,8)10/h6H,3-5H2,1-2H3,(H4,7,8,10)
InChIKeyJXWABVVFQYFUTK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.44
Rot. Bonds5

About 2-diaminophosphinothioylsulfanylhexane

2-diaminophosphinothioylsulfanylhexane (PubChem CID 56627428) has the molecular formula C6H17N2PS2 and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-diaminophosphinothioylsulfanylhexane.

Molecular Properties

Compound Name2-diaminophosphinothioylsulfanylhexane
PubChem CID56627428
Molecular FormulaC6H17N2PS2
Molecular Weight212.32 g/mol
Exact Mass212.06
IUPAC Name2-diaminophosphinothioylsulfanylhexane
SMILESCCCCC(C)SP(N)(N)=S
InChIInChI=1S/C6H17N2PS2/c1-3-4-5-6(2)11-9(7,8)10/h6H,3-5H2,1-2H3,(H4,7,8,10)
InChIKeyJXWABVVFQYFUTK-UHFFFAOYSA-N
XLogP2.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methyldisulfanyl)hexane
CID 118070757
2-(octan-2-yldisulfanyl)octane
CID 5120252
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
triethyl(hexan-2-yl)azanium
CID 88691011
tributyl(methyl)phosphanium
CID 2760115
hexan-2-ylsulfanylformic acid
CID 139771478
3-methylheptane;sulfane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173302962
2-nonan-5-ylguanidine
CID 88763433
4-propan-2-yloctan-1-amine
CID 126657786
dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)
CID 158699132
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;propane
CID 143695748

Frequently Asked Questions

What is the IUPAC name of 2-diaminophosphinothioylsulfanylhexane?
The IUPAC name of 2-diaminophosphinothioylsulfanylhexane (CID 56627428) is 2-diaminophosphinothioylsulfanylhexane.
What is the SMILES notation for 2-diaminophosphinothioylsulfanylhexane?
The canonical SMILES for 2-diaminophosphinothioylsulfanylhexane is CCCCC(C)SP(N)(N)=S.
What is the InChIKey of 2-diaminophosphinothioylsulfanylhexane?
The InChIKey is JXWABVVFQYFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2PS2/c1-3-4-5-6(2)11-9(7,8)10/h6H,3-5H2,1-2H3,(H4,7,8,10).
What are the key properties of 2-diaminophosphinothioylsulfanylhexane?
2-diaminophosphinothioylsulfanylhexane has a molecular weight of 212.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diaminophosphinothioylsulfanylhexane is sourced from PubChem (CID 56627428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).