sodium;bis(1,2-benzothiazole);formaldehyde;hydride

C15H13N2NaOS2 — CID 174390040

IUPACsodium;bis(1,2-benzothiazole);formaldehyde;hydride
SMILESC=O.[H-].[Na+].c1ccc2sncc2c1.c1ccc2sncc2c1
InChIInChI=1S/2C7H5NS.CH2O.Na.H/c2*1-2-4-7-6(3-1)5-8-9-7;1-2;;/h2*1-5H;1H2;;/q;;;+1;-1
InChIKeyAIMQABMPFZVJCY-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.52
Rot. Bonds

About sodium;bis(1,2-benzothiazole);formaldehyde;hydride

sodium;bis(1,2-benzothiazole);formaldehyde;hydride (PubChem CID 174390040) has the molecular formula C15H13N2NaOS2 and a molecular weight of 324.41 g/mol. Its IUPAC name is sodium;bis(1,2-benzothiazole);formaldehyde;hydride.

Molecular Properties

Compound Namesodium;bis(1,2-benzothiazole);formaldehyde;hydride
PubChem CID174390040
Molecular FormulaC15H13N2NaOS2
Molecular Weight324.41 g/mol
Exact Mass324.04
IUPAC Namesodium;bis(1,2-benzothiazole);formaldehyde;hydride
SMILESC=O.[H-].[Na+].c1ccc2sncc2c1.c1ccc2sncc2c1
InChIInChI=1S/2C7H5NS.CH2O.Na.H/c2*1-2-4-7-6(3-1)5-8-9-7;1-2;;/h2*1-5H;1H2;;/q;;;+1;-1
InChIKeyAIMQABMPFZVJCY-UHFFFAOYSA-N
XLogP1.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium;bis(1,2-benzothiazole);formaldehyde;hydride 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 sodium;bis(1,2-benzothiazole);formaldehyde;hydride?
The IUPAC name of sodium;bis(1,2-benzothiazole);formaldehyde;hydride (CID 174390040) is sodium;bis(1,2-benzothiazole);formaldehyde;hydride.
What is the SMILES notation for sodium;bis(1,2-benzothiazole);formaldehyde;hydride?
The canonical SMILES for sodium;bis(1,2-benzothiazole);formaldehyde;hydride is C=O.[H-].[Na+].c1ccc2sncc2c1.c1ccc2sncc2c1.
What is the InChIKey of sodium;bis(1,2-benzothiazole);formaldehyde;hydride?
The InChIKey is AIMQABMPFZVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NS.CH2O.Na.H/c2*1-2-4-7-6(3-1)5-8-9-7;1-2;;/h2*1-5H;1H2;;/q;;;+1;-1.
What are the key properties of sodium;bis(1,2-benzothiazole);formaldehyde;hydride?
sodium;bis(1,2-benzothiazole);formaldehyde;hydride has a molecular weight of 324.41 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(1,2-benzothiazole);formaldehyde;hydride is sourced from PubChem (CID 174390040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).