dimethyl sulfate;hydrazine;hydrate

C2H12N2O5S — CID 175123496

IUPACdimethyl sulfate;hydrazine;hydrate
SMILESCOS(=O)(=O)OC.NN.O
InChIInChI=1S/C2H6O4S.H4N2.H2O/c1-5-7(3,4)6-2;1-2;/h1-2H3;1-2H2;1H2
InChIKeyWMHAQVXFPCMQBJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP-2.48
Rot. Bonds2

About dimethyl sulfate;hydrazine;hydrate

dimethyl sulfate;hydrazine;hydrate (PubChem CID 175123496) has the molecular formula C2H12N2O5S and a molecular weight of 176.19 g/mol. Its IUPAC name is dimethyl sulfate;hydrazine;hydrate.

Molecular Properties

Compound Namedimethyl sulfate;hydrazine;hydrate
PubChem CID175123496
Molecular FormulaC2H12N2O5S
Molecular Weight176.19 g/mol
Exact Mass176.05
IUPAC Namedimethyl sulfate;hydrazine;hydrate
SMILESCOS(=O)(=O)OC.NN.O
InChIInChI=1S/C2H6O4S.H4N2.H2O/c1-5-7(3,4)6-2;1-2;/h1-2H3;1-2H2;1H2
InChIKeyWMHAQVXFPCMQBJ-UHFFFAOYSA-N
XLogP-2.48
TPSA136.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-2.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethyl sulfate;hydrazine
CID 18469807
Diaminoazanium;methyl sulfate
CID 19938823
Hydrazine;methyl hydrogen sulfate
CID 87141362
Hydrazine;sulfosulfonyloxymethane
CID 162202449
Methyl hydrogen sulfate;triazane
CID 173018488
Hydrazine;methyl hydrogen sulfate;hydrate
CID 174768364
Hydrazine;methyl sulfate
CID 22559770

Frequently Asked Questions

What is the IUPAC name of dimethyl sulfate;hydrazine;hydrate?
The IUPAC name of dimethyl sulfate;hydrazine;hydrate (CID 175123496) is dimethyl sulfate;hydrazine;hydrate.
What is the SMILES notation for dimethyl sulfate;hydrazine;hydrate?
The canonical SMILES for dimethyl sulfate;hydrazine;hydrate is COS(=O)(=O)OC.NN.O.
What is the InChIKey of dimethyl sulfate;hydrazine;hydrate?
The InChIKey is WMHAQVXFPCMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.H4N2.H2O/c1-5-7(3,4)6-2;1-2;/h1-2H3;1-2H2;1H2.
What are the key properties of dimethyl sulfate;hydrazine;hydrate?
dimethyl sulfate;hydrazine;hydrate has a molecular weight of 176.19 g/mol, XLogP of -2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfate;hydrazine;hydrate is sourced from PubChem (CID 175123496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).