4-bromo-2-methylsulfinyl-1,3-thiazole

C4H4BrNOS2 — CID 66520305

IUPAC4-bromo-2-methylsulfinyl-1,3-thiazole
SMILESCS(=O)c1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS2/c1-9(7)4-6-3(5)2-8-4/h2H,1H3
InChIKeyPLHBOAKDLSMLAD-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.64
Rot. Bonds1

About 4-bromo-2-methylsulfinyl-1,3-thiazole

4-bromo-2-methylsulfinyl-1,3-thiazole (PubChem CID 66520305) has the molecular formula C4H4BrNOS2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 4-bromo-2-methylsulfinyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-methylsulfinyl-1,3-thiazole
PubChem CID66520305
Molecular FormulaC4H4BrNOS2
Molecular Weight226.12 g/mol
Exact Mass224.89
IUPAC Name4-bromo-2-methylsulfinyl-1,3-thiazole
SMILESCS(=O)c1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS2/c1-9(7)4-6-3(5)2-8-4/h2H,1H3
InChIKeyPLHBOAKDLSMLAD-UHFFFAOYSA-N
XLogP1.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylsulfinyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-methylsulfinyl-1,3-thiazole (CID 66520305) is 4-bromo-2-methylsulfinyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-methylsulfinyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-methylsulfinyl-1,3-thiazole is CS(=O)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-methylsulfinyl-1,3-thiazole?
The InChIKey is PLHBOAKDLSMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS2/c1-9(7)4-6-3(5)2-8-4/h2H,1H3.
What are the key properties of 4-bromo-2-methylsulfinyl-1,3-thiazole?
4-bromo-2-methylsulfinyl-1,3-thiazole has a molecular weight of 226.12 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylsulfinyl-1,3-thiazole is sourced from PubChem (CID 66520305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).