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

C8H5ClN2OS — CID 15050032

IUPAC3-chloro-4-phenoxy-1,2,5-thiadiazole
SMILESClc1nsnc1Oc1ccccc1
InChIInChI=1S/C8H5ClN2OS/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyDAGVFKXDOSSEHM-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.98
Rot. Bonds2

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

3-chloro-4-phenoxy-1,2,5-thiadiazole (PubChem CID 15050032) has the molecular formula C8H5ClN2OS and a molecular weight of 212.66 g/mol. Its IUPAC name is 3-chloro-4-phenoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-phenoxy-1,2,5-thiadiazole
PubChem CID15050032
Molecular FormulaC8H5ClN2OS
Molecular Weight212.66 g/mol
Exact Mass211.98
IUPAC Name3-chloro-4-phenoxy-1,2,5-thiadiazole
SMILESClc1nsnc1Oc1ccccc1
InChIInChI=1S/C8H5ClN2OS/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyDAGVFKXDOSSEHM-UHFFFAOYSA-N
XLogP2.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phenoxy-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-phenoxy-1,2,5-thiadiazole (CID 15050032) is 3-chloro-4-phenoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-phenoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-phenoxy-1,2,5-thiadiazole is Clc1nsnc1Oc1ccccc1.
What is the InChIKey of 3-chloro-4-phenoxy-1,2,5-thiadiazole?
The InChIKey is DAGVFKXDOSSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2OS/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-phenoxy-1,2,5-thiadiazole?
3-chloro-4-phenoxy-1,2,5-thiadiazole has a molecular weight of 212.66 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenoxy-1,2,5-thiadiazole is sourced from PubChem (CID 15050032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).