sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane

C4H15NNaO3PS — CID 174630751

IUPACsodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCNCC.OP(O)(O)=S.[H-].[Na+]
InChIInChI=1S/C4H11N.Na.H3O3PS.H/c1-3-5-4-2;;1-4(2,3)5;/h5H,3-4H2,1-2H3;;(H3,1,2,3,5);/q;+1;;-1
InChIKeyYXCCWWXGMIOVGW-UHFFFAOYSA-N
MW211.20 g/mol
LogP-3.08
Rot. Bonds2

About sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane

sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 174630751) has the molecular formula C4H15NNaO3PS and a molecular weight of 211.20 g/mol. Its IUPAC name is sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Namesodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID174630751
Molecular FormulaC4H15NNaO3PS
Molecular Weight211.20 g/mol
Exact Mass211.04
IUPAC Namesodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCNCC.OP(O)(O)=S.[H-].[Na+]
InChIInChI=1S/C4H11N.Na.H3O3PS.H/c1-3-5-4-2;;1-4(2,3)5;/h5H,3-4H2,1-2H3;;(H3,1,2,3,5);/q;+1;;-1
InChIKeyYXCCWWXGMIOVGW-UHFFFAOYSA-N
XLogP-3.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-3.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethylethanamine;hydride;phosphoric acid
CID 175590291
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
sodium;ethane;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173048196
sodium;hydride;pentakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175387653
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethylethanamine;ethylphosphonic acid
CID 174663902
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
N-ethylethanamine;manganese(2+);dicarbamodithioate
CID 158567550
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;λ2-plumbane
CID 174566138
cerium;N-ethylethanamine
CID 174691303

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane (CID 174630751) is sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane is CCNCC.OP(O)(O)=S.[H-].[Na+].
What is the InChIKey of sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is YXCCWWXGMIOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Na.H3O3PS.H/c1-3-5-4-2;;1-4(2,3)5;/h5H,3-4H2,1-2H3;;(H3,1,2,3,5);/q;+1;;-1.
What are the key properties of sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane?
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 211.20 g/mol, XLogP of -3.08, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 174630751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).