dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate

C14H42NO18PS5 — CID 159767337

IUPACdimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate
SMILESCOP(=O)(OC)OC.COS(=O)(=O)OC.COS(=O)N(C)C.COS(=O)OC.COS(C)(=O)=O.COS(C)=O
InChIInChI=1S/C3H9NO2S.C3H9O4P.C2H6O4S.2C2H6O3S.C2H6O2S/c1-4(2)7(5)6-3;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-4-6(3)5-2;1-4-5(2)3/h1-3H3;1-3H3;1-2H3;2*1-2H3;1-2H3
InChIKeyNFRARSAMMTYTOR-UHFFFAOYSA-N
MW703.79 g/mol
LogP-0.29
Rot. Bonds11

About dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate

dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate (PubChem CID 159767337) has the molecular formula C14H42NO18PS5 and a molecular weight of 703.79 g/mol. Its IUPAC name is dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate.

Molecular Properties

Compound Namedimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate
PubChem CID159767337
Molecular FormulaC14H42NO18PS5
Molecular Weight703.79 g/mol
Exact Mass703.07
IUPAC Namedimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate
SMILESCOP(=O)(OC)OC.COS(=O)(=O)OC.COS(=O)N(C)C.COS(=O)OC.COS(C)(=O)=O.COS(C)=O
InChIInChI=1S/C3H9NO2S.C3H9O4P.C2H6O4S.2C2H6O3S.C2H6O2S/c1-4(2)7(5)6-3;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-4-6(3)5-2;1-4-5(2)3/h1-3H3;1-3H3;1-2H3;2*1-2H3;1-2H3
InChIKeyNFRARSAMMTYTOR-UHFFFAOYSA-N
XLogP-0.29
TPSA232.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.79
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate?
The IUPAC name of dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate (CID 159767337) is dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate.
What is the SMILES notation for dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate?
The canonical SMILES for dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate is COP(=O)(OC)OC.COS(=O)(=O)OC.COS(=O)N(C)C.COS(=O)OC.COS(C)(=O)=O.COS(C)=O.
What is the InChIKey of dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate?
The InChIKey is NFRARSAMMTYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S.C3H9O4P.C2H6O4S.2C2H6O3S.C2H6O2S/c1-4(2)7(5)6-3;1-5-8(4,6-2)7-3;1-5-7(3,4)6-2;1-5-6(2,3)4;1-4-6(3)5-2;1-4-5(2)3/h1-3H3;1-3H3;1-2H3;2*1-2H3;1-2H3.
What are the key properties of dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate?
dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate has a molecular weight of 703.79 g/mol, XLogP of -0.29, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfate;dimethyl sulfite;[methoxysulfinyl(methyl)amino]methane;methyl methanesulfinate;methyl methanesulfonate;trimethyl phosphate is sourced from PubChem (CID 159767337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).