methyl hydrogen sulfate;triazane

CH9N3O4S — CID 173018488

IUPACmethyl hydrogen sulfate;triazane
SMILESCOS(=O)(=O)O.NNN
InChIInChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2
InChIKeyZTWZQQUHYUAWRS-UHFFFAOYSA-N
MW159.17 g/mol
LogP-2.24
Rot. Bonds1

About methyl hydrogen sulfate;triazane

methyl hydrogen sulfate;triazane (PubChem CID 173018488) has the molecular formula CH9N3O4S and a molecular weight of 159.17 g/mol. Its IUPAC name is methyl hydrogen sulfate;triazane.

Molecular Properties

Compound Namemethyl hydrogen sulfate;triazane
PubChem CID173018488
Molecular FormulaCH9N3O4S
Molecular Weight159.17 g/mol
Exact Mass159.03
IUPAC Namemethyl hydrogen sulfate;triazane
SMILESCOS(=O)(=O)O.NNN
InChIInChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2
InChIKeyZTWZQQUHYUAWRS-UHFFFAOYSA-N
XLogP-2.24
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methyl hydrogen sulfate;triazane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl sulfate;hydrazine
CID 18469807
Diaminoazanium;methyl sulfate
CID 19938823
Hydrazine;methyl hydrogen sulfate
CID 87141362
CID 88155756
CID 88155756
Hydrazine;methyl hydrogen sulfite
CID 88833602
Hydrazine;sulfosulfonyloxymethane
CID 162202449
Hydrazine;methyl hydrogen sulfate;hydrate
CID 174768364
Dimethyl sulfate;hydrazine;hydrate
CID 175123496
Hydrazine;methyl sulfate
CID 22559770

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen sulfate;triazane?
The IUPAC name of methyl hydrogen sulfate;triazane (CID 173018488) is methyl hydrogen sulfate;triazane.
What is the SMILES notation for methyl hydrogen sulfate;triazane?
The canonical SMILES for methyl hydrogen sulfate;triazane is COS(=O)(=O)O.NNN.
What is the InChIKey of methyl hydrogen sulfate;triazane?
The InChIKey is ZTWZQQUHYUAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2.
What are the key properties of methyl hydrogen sulfate;triazane?
methyl hydrogen sulfate;triazane has a molecular weight of 159.17 g/mol, XLogP of -2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen sulfate;triazane is sourced from PubChem (CID 173018488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).