azane;formic acid;sulfane

C2H9NO4S — CID 172775815

IUPACazane;formic acid;sulfane
SMILESN.O=CO.O=CO.S
InChIInChI=1S/2CH2O2.H3N.H2S/c2*2-1-3;;/h2*1H,(H,2,3);1H3;1H2
InChIKeyNOPJPBFOOOHPAR-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.32
Rot. Bonds

About azane;formic acid;sulfane

azane;formic acid;sulfane (PubChem CID 172775815) has the molecular formula C2H9NO4S and a molecular weight of 143.16 g/mol. Its IUPAC name is azane;formic acid;sulfane.

Molecular Properties

Compound Nameazane;formic acid;sulfane
PubChem CID172775815
Molecular FormulaC2H9NO4S
Molecular Weight143.16 g/mol
Exact Mass143.03
IUPAC Nameazane;formic acid;sulfane
SMILESN.O=CO.O=CO.S
InChIInChI=1S/2CH2O2.H3N.H2S/c2*2-1-3;;/h2*1H,(H,2,3);1H3;1H2
InChIKeyNOPJPBFOOOHPAR-UHFFFAOYSA-N
XLogP-0.32
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;formic acid;sulfane?
The IUPAC name of azane;formic acid;sulfane (CID 172775815) is azane;formic acid;sulfane.
What is the SMILES notation for azane;formic acid;sulfane?
The canonical SMILES for azane;formic acid;sulfane is N.O=CO.O=CO.S.
What is the InChIKey of azane;formic acid;sulfane?
The InChIKey is NOPJPBFOOOHPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O2.H3N.H2S/c2*2-1-3;;/h2*1H,(H,2,3);1H3;1H2.
What are the key properties of azane;formic acid;sulfane?
azane;formic acid;sulfane has a molecular weight of 143.16 g/mol, XLogP of -0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formic acid;sulfane is sourced from PubChem (CID 172775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).