diazo-bis(methylsulfonyl)methane

C3H6N2O4S2 — CID 10921503

IUPACdiazo-bis(methylsulfonyl)methane
SMILESCS(=O)(=O)C(=[N+]=[N-])S(C)(=O)=O
InChIInChI=1S/C3H6N2O4S2/c1-10(6,7)3(5-4)11(2,8)9/h1-2H3
InChIKeyRRSBYFRLVLCQKC-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.34
Rot. Bonds

About diazo-bis(methylsulfonyl)methane

diazo-bis(methylsulfonyl)methane (PubChem CID 10921503) has the molecular formula C3H6N2O4S2 and a molecular weight of 198.22 g/mol. Its IUPAC name is diazo-bis(methylsulfonyl)methane.

Molecular Properties

Compound Namediazo-bis(methylsulfonyl)methane
PubChem CID10921503
Molecular FormulaC3H6N2O4S2
Molecular Weight198.22 g/mol
Exact Mass197.98
IUPAC Namediazo-bis(methylsulfonyl)methane
SMILESCS(=O)(=O)C(=[N+]=[N-])S(C)(=O)=O
InChIInChI=1S/C3H6N2O4S2/c1-10(6,7)3(5-4)11(2,8)9/h1-2H3
InChIKeyRRSBYFRLVLCQKC-UHFFFAOYSA-N
XLogP-1.34
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazo-bis(methylsulfonyl)methane?
The IUPAC name of diazo-bis(methylsulfonyl)methane (CID 10921503) is diazo-bis(methylsulfonyl)methane.
What is the SMILES notation for diazo-bis(methylsulfonyl)methane?
The canonical SMILES for diazo-bis(methylsulfonyl)methane is CS(=O)(=O)C(=[N+]=[N-])S(C)(=O)=O.
What is the InChIKey of diazo-bis(methylsulfonyl)methane?
The InChIKey is RRSBYFRLVLCQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O4S2/c1-10(6,7)3(5-4)11(2,8)9/h1-2H3.
What are the key properties of diazo-bis(methylsulfonyl)methane?
diazo-bis(methylsulfonyl)methane has a molecular weight of 198.22 g/mol, XLogP of -1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazo-bis(methylsulfonyl)methane is sourced from PubChem (CID 10921503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).