BRN 5586593

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

CAS: 104519-27-9

Molecular Formula	`C17H21N3S`
Molecular Weight	299.4 g/mol
LogP	5.7
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	299.14563
Heavy Atoms	21
Complexity	351.0

Chemical Identifiers

CAS Number	104519-27-9
SMILES	`CCCCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)C)C`
InChIKey	`ANRBIQQTDUWXPI-UHFFFAOYSA-N`

📖 Product Overview

BRN 5586593 (CAS: 104519-27-9) is a chemical compound with molecular formula C17H21N3S and molecular weight 299.4 g/mol. Its IUPAC systematic name is 2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-methyl-1,3-benzothiazole. LogP 5.7 Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 299.14563 Heavy Atoms 21 Complexity 351.0 InChI Key: ANRBIQQTDUWXPI-UHFFFAOYSA-N. SMILES: CCCCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)C)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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