diazenylmethanesulfinic acid

CH4N2O2S — CID 22465823

IUPACdiazenylmethanesulfinic acid
SMILES[H]/N=N/CS(=O)O
InChIInChI=1S/CH4N2O2S/c2-3-1-6(4)5/h2H,1H2,(H,4,5)/b3-2+
InChIKeyONNFZHAVUSXWTP-NSCUHMNNSA-N
MW108.12 g/mol
LogP0.20
Rot. Bonds2

About diazenylmethanesulfinic acid

diazenylmethanesulfinic acid (PubChem CID 22465823) has the molecular formula CH4N2O2S and a molecular weight of 108.12 g/mol. Its IUPAC name is diazenylmethanesulfinic acid.

Molecular Properties

Compound Namediazenylmethanesulfinic acid
PubChem CID22465823
Molecular FormulaCH4N2O2S
Molecular Weight108.12 g/mol
Exact Mass108.00
IUPAC Namediazenylmethanesulfinic acid
SMILES[H]/N=N/CS(=O)O
InChIInChI=1S/CH4N2O2S/c2-3-1-6(4)5/h2H,1H2,(H,4,5)/b3-2+
InChIKeyONNFZHAVUSXWTP-NSCUHMNNSA-N
XLogP0.20
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diazenyl-(sulfinoamino)methane
CID 57233993
2-diazenylethanethioic S-acid
CID 87476873
3-iminopropane-1-sulfinic acid
CID 148909455
ethane-1,2-disulfinic acid
CID 15180980
1-(diazenylmethyl)cyclohexane-1-sulfinate
CID 174520479
2-diazenylethanethioamide
CID 21113575
iodomethanesulfinic acid
CID 23503835
(difluoroamino)methanesulfinic acid
CID 175743746
12-nitrosododecyldiazene
CID 122463248
propan-2-yl 2-diazenylacetate
CID 130320226
sodium ethanesulfinic acid
CID 19960758
N-iminonitrous amide
CID 57429254

Frequently Asked Questions

What is the IUPAC name of diazenylmethanesulfinic acid?
The IUPAC name of diazenylmethanesulfinic acid (CID 22465823) is diazenylmethanesulfinic acid.
What is the SMILES notation for diazenylmethanesulfinic acid?
The canonical SMILES for diazenylmethanesulfinic acid is [H]/N=N/CS(=O)O.
What is the InChIKey of diazenylmethanesulfinic acid?
The InChIKey is ONNFZHAVUSXWTP-NSCUHMNNSA-N. The full InChI is InChI=1S/CH4N2O2S/c2-3-1-6(4)5/h2H,1H2,(H,4,5)/b3-2+.
What are the key properties of diazenylmethanesulfinic acid?
diazenylmethanesulfinic acid has a molecular weight of 108.12 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazenylmethanesulfinic acid is sourced from PubChem (CID 22465823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).