3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole

C8H5ClN2S2 — CID 43426964

IUPAC3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole
SMILESClc1nsnc1Sc1ccccc1
InChIInChI=1S/C8H5ClN2S2/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyCNZKQRCLPNZYNA-UHFFFAOYSA-N
MW228.73 g/mol
LogP3.34
Rot. Bonds2

About 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole

3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole (PubChem CID 43426964) has the molecular formula C8H5ClN2S2 and a molecular weight of 228.73 g/mol. Its IUPAC name is 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole
PubChem CID43426964
Molecular FormulaC8H5ClN2S2
Molecular Weight228.73 g/mol
Exact Mass227.96
IUPAC Name3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole
SMILESClc1nsnc1Sc1ccccc1
InChIInChI=1S/C8H5ClN2S2/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyCNZKQRCLPNZYNA-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole 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 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole (CID 43426964) is 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole is Clc1nsnc1Sc1ccccc1.
What is the InChIKey of 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole?
The InChIKey is CNZKQRCLPNZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S2/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole?
3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole has a molecular weight of 228.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenylsulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 43426964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).