azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane

C4H14NO3PS — CID 171380944

IUPACazane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
SMILESN.[2H]C([2H])([2H])C([2H])([2H])OP(O)(=S)OC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3/i1D3,2D3,3D2,4D2;
InChIKeyIBGKZCJDWXXWNU-MFMGRUKYSA-N
MW197.26 g/mol
LogP1.44
Rot. Bonds6

About azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane

azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane (PubChem CID 171380944) has the molecular formula C4H14NO3PS and a molecular weight of 197.26 g/mol. Its IUPAC name is azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
PubChem CID171380944
Molecular FormulaC4H14NO3PS
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Nameazane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
SMILESN.[2H]C([2H])([2H])C([2H])([2H])OP(O)(=S)OC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3/i1D3,2D3,3D2,4D2;
InChIKeyIBGKZCJDWXXWNU-MFMGRUKYSA-N
XLogP1.44
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O,O-Diethylphosphoric acid, potassium salt (diethyl-D10, 98%) 100 UG/ML IN methanol
CID 171371363
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
CID 14041230
ethyl N-[2-[bis(1,1,2,2,2-pentadeuterioethoxy)phosphinothioylsulfanyl]acetyl]-N-methylcarbamate
CID 129318199
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
1,1,2,2,2-pentadeuterioethyl propanoate
CID 171380525
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 53306789

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane (CID 171380944) is azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane is N.[2H]C([2H])([2H])C([2H])([2H])OP(O)(=S)OC([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is IBGKZCJDWXXWNU-MFMGRUKYSA-N. The full InChI is InChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3/i1D3,2D3,3D2,4D2;.
What are the key properties of azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane?
azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 197.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 171380944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).