CID 18758617

H4N2O4S2 — CID 18758617

IUPAC—
SMILESNS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/H4N2O4S2/c1-7(3,4)8(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyXWFTVECBZZIQOG-UHFFFAOYSA-N
MW160.18 g/mol
LogP-2.52
Rot. Bonds1

About CID 18758617

CID 18758617 (PubChem CID 18758617) has the molecular formula H4N2O4S2 and a molecular weight of 160.18 g/mol.

Molecular Properties

Compound NameCID 18758617
PubChem CID18758617
Molecular FormulaH4N2O4S2
Molecular Weight160.18 g/mol
Exact Mass159.96
IUPAC Name—
SMILESNS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/H4N2O4S2/c1-7(3,4)8(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyXWFTVECBZZIQOG-UHFFFAOYSA-N
XLogP-2.52
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18758617?
The IUPAC name of CID 18758617 (CID 18758617) is not available.
What is the SMILES notation for CID 18758617?
The canonical SMILES for CID 18758617 is NS(=O)(=O)S(N)(=O)=O.
What is the InChIKey of CID 18758617?
The InChIKey is XWFTVECBZZIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O4S2/c1-7(3,4)8(2,5)6/h(H2,1,3,4)(H2,2,5,6).
What are the key properties of CID 18758617?
CID 18758617 has a molecular weight of 160.18 g/mol, XLogP of -2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18758617 is sourced from PubChem (CID 18758617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).