CID 19876176

H4N2O4S3 — CID 19876176

IUPAC—
SMILESNS(=O)(=O)SS(N)(=O)=O
InChIInChI=1S/H4N2O4S3/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyBPDFTFKSLNQZDN-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.87
Rot. Bonds2

About CID 19876176

CID 19876176 (PubChem CID 19876176) has the molecular formula H4N2O4S3 and a molecular weight of 192.24 g/mol.

Molecular Properties

Compound NameCID 19876176
PubChem CID19876176
Molecular FormulaH4N2O4S3
Molecular Weight192.24 g/mol
Exact Mass191.93
IUPAC Name—
SMILESNS(=O)(=O)SS(N)(=O)=O
InChIInChI=1S/H4N2O4S3/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyBPDFTFKSLNQZDN-UHFFFAOYSA-N
XLogP-1.87
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 19876176 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 19876176?
The IUPAC name of CID 19876176 (CID 19876176) is not available.
What is the SMILES notation for CID 19876176?
The canonical SMILES for CID 19876176 is NS(=O)(=O)SS(N)(=O)=O.
What is the InChIKey of CID 19876176?
The InChIKey is BPDFTFKSLNQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O4S3/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6).
What are the key properties of CID 19876176?
CID 19876176 has a molecular weight of 192.24 g/mol, XLogP of -1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19876176 is sourced from PubChem (CID 19876176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).