BRN 4340009

3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one

CAS: 135575-65-4

Molecular Formula	`C21H20IN5O2S2`
Molecular Weight	565.5 g/mol
LogP	4.1
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	565.0103
Heavy Atoms	31
Complexity	672.0

Chemical Identifiers

CAS Number	135575-65-4
SMILES	`CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C)O`
InChIKey	`VVTYXPMQSWZHSI-UHFFFAOYSA-N`

📖 Product Overview

BRN 4340009 (CAS: 135575-65-4) is a chemical compound with molecular formula C21H20IN5O2S2 and molecular weight 565.5 g/mol. Its IUPAC systematic name is 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one. LogP 4.1 Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 565.0103 Heavy Atoms 31 Complexity 672.0 InChI Key: VVTYXPMQSWZHSI-UHFFFAOYSA-N. SMILES: CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C)O.

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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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