4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole

C9H3Cl4NOS — CID 83153457

IUPAC4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole
SMILESClc1csc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C9H3Cl4NOS/c10-4-1-6(12)7(2-5(4)11)15-9-14-8(13)3-16-9/h1-3H
InChIKeyVLRVDLFBKMJHFV-UHFFFAOYSA-N
MW315.01 g/mol
LogP5.55
Rot. Bonds2

About 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole

4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole (PubChem CID 83153457) has the molecular formula C9H3Cl4NOS and a molecular weight of 315.01 g/mol. Its IUPAC name is 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole
PubChem CID83153457
Molecular FormulaC9H3Cl4NOS
Molecular Weight315.01 g/mol
Exact Mass312.87
IUPAC Name4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole
SMILESClc1csc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C9H3Cl4NOS/c10-4-1-6(12)7(2-5(4)11)15-9-14-8(13)3-16-9/h1-3H
InChIKeyVLRVDLFBKMJHFV-UHFFFAOYSA-N
XLogP5.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.01
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole (CID 83153457) is 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole is Clc1csc(Oc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole?
The InChIKey is VLRVDLFBKMJHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4NOS/c10-4-1-6(12)7(2-5(4)11)15-9-14-8(13)3-16-9/h1-3H.
What are the key properties of 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole?
4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole has a molecular weight of 315.01 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole is sourced from PubChem (CID 83153457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).