2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one

CAS: 108635-35-4

Molecular Formula	`C23H15Br2N3O2S2`
Molecular Weight	589.3 g/mol
LogP	6.8
Topological Polar Surface Area	108.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	588.8952
Heavy Atoms	32
Complexity	729.0

Chemical Identifiers

CAS Number	108635-35-4
SMILES	`COC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CSC4=NC5=CC=CC=C5S4`
InChIKey	`MFYYZVZJZNSSSF-UHFFFAOYSA-N`

📖 Product Overview

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one (CAS: 108635-35-4) is a chemical compound with molecular formula C23H15Br2N3O2S2 and molecular weight 589.3 g/mol. Its IUPAC systematic name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one. LogP 6.8 Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 588.8952 Heavy Atoms 32 Complexity 729.0 InChI Key: MFYYZVZJZNSSSF-UHFFFAOYSA-N. SMILES: COC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CSC4=NC5=CC=CC=C5S4.

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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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