2,5,6-trichloro-1,3-benzothiazole

C7H2Cl3NS — CID 22125400

IUPAC2,5,6-trichloro-1,3-benzothiazole
SMILESClc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C7H2Cl3NS/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H
InChIKeyWNVSIKFDDOOWGR-UHFFFAOYSA-N
MW238.53 g/mol
LogP4.26
Rot. Bonds

About 2,5,6-trichloro-1,3-benzothiazole

2,5,6-trichloro-1,3-benzothiazole (PubChem CID 22125400) has the molecular formula C7H2Cl3NS and a molecular weight of 238.53 g/mol. Its IUPAC name is 2,5,6-trichloro-1,3-benzothiazole.

Molecular Properties

Compound Name2,5,6-trichloro-1,3-benzothiazole
PubChem CID22125400
Molecular FormulaC7H2Cl3NS
Molecular Weight238.53 g/mol
Exact Mass236.90
IUPAC Name2,5,6-trichloro-1,3-benzothiazole
SMILESClc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C7H2Cl3NS/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H
InChIKeyWNVSIKFDDOOWGR-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-1,3-benzothiazole?
The IUPAC name of 2,5,6-trichloro-1,3-benzothiazole (CID 22125400) is 2,5,6-trichloro-1,3-benzothiazole.
What is the SMILES notation for 2,5,6-trichloro-1,3-benzothiazole?
The canonical SMILES for 2,5,6-trichloro-1,3-benzothiazole is Clc1nc2cc(Cl)c(Cl)cc2s1.
What is the InChIKey of 2,5,6-trichloro-1,3-benzothiazole?
The InChIKey is WNVSIKFDDOOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3NS/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H.
What are the key properties of 2,5,6-trichloro-1,3-benzothiazole?
2,5,6-trichloro-1,3-benzothiazole has a molecular weight of 238.53 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-1,3-benzothiazole is sourced from PubChem (CID 22125400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).