CID 59498014

C3HClN2S — CID 59498014

IUPAC—
SMILES[CH]c1nsc(Cl)n1
InChIInChI=1S/C3HClN2S/c1-2-5-3(4)7-6-2/h1H
InChIKeyJDSIKTYXLNJEKI-UHFFFAOYSA-N
MW132.58 g/mol
LogP1.25
Rot. Bonds

About CID 59498014

CID 59498014 (PubChem CID 59498014) has the molecular formula C3HClN2S and a molecular weight of 132.58 g/mol.

Molecular Properties

Compound NameCID 59498014
PubChem CID59498014
Molecular FormulaC3HClN2S
Molecular Weight132.58 g/mol
Exact Mass131.95
IUPAC Name—
SMILES[CH]c1nsc(Cl)n1
InChIInChI=1S/C3HClN2S/c1-2-5-3(4)7-6-2/h1H
InChIKeyJDSIKTYXLNJEKI-UHFFFAOYSA-N
XLogP1.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.58
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 59498014 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 59498014?
The IUPAC name of CID 59498014 (CID 59498014) is not available.
What is the SMILES notation for CID 59498014?
The canonical SMILES for CID 59498014 is [CH]c1nsc(Cl)n1.
What is the InChIKey of CID 59498014?
The InChIKey is JDSIKTYXLNJEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClN2S/c1-2-5-3(4)7-6-2/h1H.
What are the key properties of CID 59498014?
CID 59498014 has a molecular weight of 132.58 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59498014 is sourced from PubChem (CID 59498014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).