4-(2-bromophenoxy)-1,2-thiazole

C9H6BrNOS — CID 117233629

IUPAC4-(2-bromophenoxy)-1,2-thiazole
SMILESBrc1ccccc1Oc1cnsc1
InChIInChI=1S/C9H6BrNOS/c10-8-3-1-2-4-9(8)12-7-5-11-13-6-7/h1-6H
InChIKeyGIXDUUCOCAHBFD-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.70
Rot. Bonds2

About 4-(2-bromophenoxy)-1,2-thiazole

4-(2-bromophenoxy)-1,2-thiazole (PubChem CID 117233629) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-1,2-thiazole.

Molecular Properties

Compound Name4-(2-bromophenoxy)-1,2-thiazole
PubChem CID117233629
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name4-(2-bromophenoxy)-1,2-thiazole
SMILESBrc1ccccc1Oc1cnsc1
InChIInChI=1S/C9H6BrNOS/c10-8-3-1-2-4-9(8)12-7-5-11-13-6-7/h1-6H
InChIKeyGIXDUUCOCAHBFD-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-1,2-thiazole?
The IUPAC name of 4-(2-bromophenoxy)-1,2-thiazole (CID 117233629) is 4-(2-bromophenoxy)-1,2-thiazole.
What is the SMILES notation for 4-(2-bromophenoxy)-1,2-thiazole?
The canonical SMILES for 4-(2-bromophenoxy)-1,2-thiazole is Brc1ccccc1Oc1cnsc1.
What is the InChIKey of 4-(2-bromophenoxy)-1,2-thiazole?
The InChIKey is GIXDUUCOCAHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c10-8-3-1-2-4-9(8)12-7-5-11-13-6-7/h1-6H.
What are the key properties of 4-(2-bromophenoxy)-1,2-thiazole?
4-(2-bromophenoxy)-1,2-thiazole has a molecular weight of 256.12 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-1,2-thiazole is sourced from PubChem (CID 117233629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).