2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane

C12H29NP2SSe — CID 100984496

IUPAC2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane
SMILESCC(C)P(=S)(NP(=[Se])(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C12H29NP2SSe/c1-9(2)14(16,10(3)4)13-15(17,11(5)6)12(7)8/h9-12H,1-8H3,(H,13,16,17)
InChIKeyWYLYJGFACQTQEK-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.62
Rot. Bonds6

About 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane

2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane (PubChem CID 100984496) has the molecular formula C12H29NP2SSe and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane.

Molecular Properties

Compound Name2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane
PubChem CID100984496
Molecular FormulaC12H29NP2SSe
Molecular Weight360.35 g/mol
Exact Mass361.07
IUPAC Name2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane
SMILESCC(C)P(=S)(NP(=[Se])(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C12H29NP2SSe/c1-9(2)14(16,10(3)4)13-15(17,11(5)6)12(7)8/h9-12H,1-8H3,(H,13,16,17)
InChIKeyWYLYJGFACQTQEK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

di(propan-2-yl)phosphinothioylmethyl-di(propan-2-yl)-sulfanylidene-λ5-phosphane
CID 23418689
2-di(propan-2-yl)phosphinoselenoylethyl-di(propan-2-yl)-selanylidene-λ5-phosphane
CID 139172260
CID 58943019
CID 58943019
(E)-N-tert-butyl-2-di(propan-2-yl)phosphinothioylbut-1-en-1-amine
CID 15356803
diethoxy-propan-2-yl-selanylidene-lambda5-phosphane
CID 15503690
2-[amino(methoxy)phosphinothioyl]oxypropane
CID 14091506
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
CID 5483603
CID 5483603
3,4,5-trimethylheptane-2,6-dithiol
CID 167280978
dichloro-ethyl-selanylidene-lambda5-phosphane
CID 518992
di(propan-2-yl)phosphinic acid;ethane;bis(hydroxy-di(propan-2-yl)-sulfanylidene-λ5-phosphane);propan-2-ylphosphonic acid
CID 162151729
1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane
CID 87562223

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane?
The IUPAC name of 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane (CID 100984496) is 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane.
What is the SMILES notation for 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane?
The canonical SMILES for 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane is CC(C)P(=S)(NP(=[Se])(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane?
The InChIKey is WYLYJGFACQTQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NP2SSe/c1-9(2)14(16,10(3)4)13-15(17,11(5)6)12(7)8/h9-12H,1-8H3,(H,13,16,17).
What are the key properties of 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane?
2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane has a molecular weight of 360.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)phosphinoselenoylamino]-propan-2-ylphosphinothioyl]propane is sourced from PubChem (CID 100984496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).