O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)

C5H10O3PRbS2 — CID 59498548

IUPACO-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)
SMILESCOC(=S)S[CH-]OP(C)(C)=O.[Rb+]
InChIInChI=1S/C5H10O3PS2.Rb/c1-7-5(10)11-4-8-9(2,3)6;/h4H,1-3H3;/q-1;+1
InChIKeyRNZBRTDYIMOPBE-UHFFFAOYSA-N
MW298.71 g/mol
LogP-0.67
Rot. Bonds3

About O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)

O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+) (PubChem CID 59498548) has the molecular formula C5H10O3PRbS2 and a molecular weight of 298.71 g/mol. Its IUPAC name is O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+).

Molecular Properties

Compound NameO-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)
PubChem CID59498548
Molecular FormulaC5H10O3PRbS2
Molecular Weight298.71 g/mol
Exact Mass297.89
IUPAC NameO-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)
SMILESCOC(=S)S[CH-]OP(C)(C)=O.[Rb+]
InChIInChI=1S/C5H10O3PS2.Rb/c1-7-5(10)11-4-8-9(2,3)6;/h4H,1-3H3;/q-1;+1
InChIKeyRNZBRTDYIMOPBE-UHFFFAOYSA-N
XLogP-0.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;O-methyl methylsulfanylmethanethioate
CID 172774796
O-phosphono ethanethioate
CID 155074786
CID 57459832
CID 57459832
O-methyl (3,3-dimethyl-2-oxobutyl)sulfanylmethanethioate
CID 101453401
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
1-methoxy-N-methylethenamine
CID 22975960
methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
CID 23401527
dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
CID 160942040
methane;bis(O-methyl N-methylcarbamothioate)
CID 161405715
O-methyl 2-ethylsulfanylethylsulfanylmethanethioate
CID 126992841
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
CID 140840932

Frequently Asked Questions

What is the IUPAC name of O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)?
The IUPAC name of O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+) (CID 59498548) is O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+).
What is the SMILES notation for O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)?
The canonical SMILES for O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+) is COC(=S)S[CH-]OP(C)(C)=O.[Rb+].
What is the InChIKey of O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)?
The InChIKey is RNZBRTDYIMOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3PS2.Rb/c1-7-5(10)11-4-8-9(2,3)6;/h4H,1-3H3;/q-1;+1.
What are the key properties of O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)?
O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+) has a molecular weight of 298.71 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+) is sourced from PubChem (CID 59498548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).