4-(bromomethyl)-1,3-thiazole;hydrobromide

C4H5Br2NS — CID 84819416

IUPAC4-(bromomethyl)-1,3-thiazole;hydrobromide
SMILESBr.BrCc1cscn1
InChIInChI=1S/C4H4BrNS.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChIKeySGRVAKKAQAGLOX-UHFFFAOYSA-N
MW258.97 g/mol
LogP2.62
Rot. Bonds1

About 4-(bromomethyl)-1,3-thiazole;hydrobromide

4-(bromomethyl)-1,3-thiazole;hydrobromide (PubChem CID 84819416) has the molecular formula C4H5Br2NS and a molecular weight of 258.97 g/mol. Its IUPAC name is 4-(bromomethyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(bromomethyl)-1,3-thiazole;hydrobromide
PubChem CID84819416
Molecular FormulaC4H5Br2NS
Molecular Weight258.97 g/mol
Exact Mass256.85
IUPAC Name4-(bromomethyl)-1,3-thiazole;hydrobromide
SMILESBr.BrCc1cscn1
InChIInChI=1S/C4H4BrNS.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChIKeySGRVAKKAQAGLOX-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.97
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(bromomethyl)-1,3-thiazole;hydrobromide (CID 84819416) is 4-(bromomethyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(bromomethyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(bromomethyl)-1,3-thiazole;hydrobromide is Br.BrCc1cscn1.
What is the InChIKey of 4-(bromomethyl)-1,3-thiazole;hydrobromide?
The InChIKey is SGRVAKKAQAGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H.
What are the key properties of 4-(bromomethyl)-1,3-thiazole;hydrobromide?
4-(bromomethyl)-1,3-thiazole;hydrobromide has a molecular weight of 258.97 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 84819416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).