sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

C4H10NaO2PS2 — CID 23699418

IUPACsodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOP([O-])(=S)SC(C)C.[Na+]
InChIInChI=1S/C4H11O2PS2.Na/c1-4(2)9-7(5,8)6-3;/h4H,1-3H3,(H,5,8);/q;+1/p-1
InChIKeyMYFKULIBSADGIP-UHFFFAOYSA-M
MW208.22 g/mol
LogP-1.64
Rot. Bonds3

About sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 23699418) has the molecular formula C4H10NaO2PS2 and a molecular weight of 208.22 g/mol. Its IUPAC name is sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID23699418
Molecular FormulaC4H10NaO2PS2
Molecular Weight208.22 g/mol
Exact Mass207.98
IUPAC Namesodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOP([O-])(=S)SC(C)C.[Na+]
InChIInChI=1S/C4H11O2PS2.Na/c1-4(2)9-7(5,8)6-3;/h4H,1-3H3,(H,5,8);/q;+1/p-1
InChIKeyMYFKULIBSADGIP-UHFFFAOYSA-M
XLogP-1.64
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphorodithioic acid, O-methyl S,S-dipropyl ester
CID 77739
Phosphorodithioic acid, O-methyl S,S-bis(1-methylethyl) ester
CID 175840
ethyl O,O-dimethyl phosphorodithioate
CID 12616941
Sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 23715677
Sodium ethoxy-ethylsulfanyl-oxido-sulfanylidene-lambda5-phosphane
CID 23719525
Potassium dipropyl dithiophosphate
CID 88730962
Sodium dipropyldithiophosphat
CID 88794363
Antimony dipropyldithiophosphate
CID 129819140
O-Ethyl S-propyl hydrogen phosphorodithioate
CID 10659877
Diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
CID 11401922
O,O-Diethyl S-propan-2-yl phosphorodithioate
CID 298844
S-Butyl o,o-dimethyl phosphorodithioate
CID 6424375

Frequently Asked Questions

What is the IUPAC name of sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (CID 23699418) is sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is COP([O-])(=S)SC(C)C.[Na+].
What is the InChIKey of sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is MYFKULIBSADGIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O2PS2.Na/c1-4(2)9-7(5,8)6-3;/h4H,1-3H3,(H,5,8);/q;+1/p-1.
What are the key properties of sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 208.22 g/mol, XLogP of -1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23699418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).