BRN 5594839

2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-1,3-benzothiazole

CAS: 104519-28-0

Molecular Formula	`C16H18ClN3S`
Molecular Weight	319.9 g/mol
LogP	6.0
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	319.091
Heavy Atoms	21
Complexity	356.0

Chemical Identifiers

CAS Number	104519-28-0
SMILES	`CCCCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)Cl)C`
InChIKey	`DZIRTOUFZBECHD-UHFFFAOYSA-N`

📖 Product Overview

BRN 5594839 (CAS: 104519-28-0) is a chemical compound with molecular formula C16H18ClN3S and molecular weight 319.9 g/mol. Its IUPAC systematic name is 2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-1,3-benzothiazole. LogP 6.0 Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 319.091 Heavy Atoms 21 Complexity 356.0 InChI Key: DZIRTOUFZBECHD-UHFFFAOYSA-N. SMILES: CCCCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)Cl)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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