dithiadiazete 1,1,2,2-tetraoxide

N2O4S2 — CID 175013688

IUPACdithiadiazete 1,1,2,2-tetraoxide
SMILESO=S1(=O)N=NS1(=O)=O
InChIInChI=1S/N2O4S2/c3-7(4)1-2-8(7,5)6
InChIKeyNVMHNVTVCCNIIS-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.97
Rot. Bonds

About dithiadiazete 1,1,2,2-tetraoxide

dithiadiazete 1,1,2,2-tetraoxide (PubChem CID 175013688) has the molecular formula N2O4S2 and a molecular weight of 156.14 g/mol. Its IUPAC name is dithiadiazete 1,1,2,2-tetraoxide.

Molecular Properties

Compound Namedithiadiazete 1,1,2,2-tetraoxide
PubChem CID175013688
Molecular FormulaN2O4S2
Molecular Weight156.14 g/mol
Exact Mass155.93
IUPAC Namedithiadiazete 1,1,2,2-tetraoxide
SMILESO=S1(=O)N=NS1(=O)=O
InChIInChI=1S/N2O4S2/c3-7(4)1-2-8(7,5)6
InChIKeyNVMHNVTVCCNIIS-UHFFFAOYSA-N
XLogP-0.97
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azidosulfonyl N-diazosulfamate
CID 19868343
Potassium azidosulfonyl sulfate
CID 85960723
CID 150813176
CID 150813176
CID 154227133
CID 154227133

Frequently Asked Questions

What is the IUPAC name of dithiadiazete 1,1,2,2-tetraoxide?
The IUPAC name of dithiadiazete 1,1,2,2-tetraoxide (CID 175013688) is dithiadiazete 1,1,2,2-tetraoxide.
What is the SMILES notation for dithiadiazete 1,1,2,2-tetraoxide?
The canonical SMILES for dithiadiazete 1,1,2,2-tetraoxide is O=S1(=O)N=NS1(=O)=O.
What is the InChIKey of dithiadiazete 1,1,2,2-tetraoxide?
The InChIKey is NVMHNVTVCCNIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O4S2/c3-7(4)1-2-8(7,5)6.
What are the key properties of dithiadiazete 1,1,2,2-tetraoxide?
dithiadiazete 1,1,2,2-tetraoxide has a molecular weight of 156.14 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dithiadiazete 1,1,2,2-tetraoxide is sourced from PubChem (CID 175013688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).