CID 59438549

C3H2N2S — CID 59438549

IUPAC—
SMILES[CH]c1ncsn1
InChIInChI=1S/C3H2N2S/c1-3-4-2-6-5-3/h1-2H
InChIKeyPMERWKFAXUEOES-UHFFFAOYSA-N
MW98.13 g/mol
LogP0.60
Rot. Bonds

About CID 59438549

CID 59438549 (PubChem CID 59438549) has the molecular formula C3H2N2S and a molecular weight of 98.13 g/mol.

Molecular Properties

Compound NameCID 59438549
PubChem CID59438549
Molecular FormulaC3H2N2S
Molecular Weight98.13 g/mol
Exact Mass97.99
IUPAC Name—
SMILES[CH]c1ncsn1
InChIInChI=1S/C3H2N2S/c1-3-4-2-6-5-3/h1-2H
InChIKeyPMERWKFAXUEOES-UHFFFAOYSA-N
XLogP0.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.13
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 59438549 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 59438549?
The IUPAC name of CID 59438549 (CID 59438549) is not available.
What is the SMILES notation for CID 59438549?
The canonical SMILES for CID 59438549 is [CH]c1ncsn1.
What is the InChIKey of CID 59438549?
The InChIKey is PMERWKFAXUEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2S/c1-3-4-2-6-5-3/h1-2H.
What are the key properties of CID 59438549?
CID 59438549 has a molecular weight of 98.13 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59438549 is sourced from PubChem (CID 59438549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).