(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate

CAS: 104946-77-2

Molecular Formula	`C22H27N3O3S`
Molecular Weight	413.5 g/mol
LogP	4.7
Topological Polar Surface Area	88.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	413.1773
Heavy Atoms	29
Complexity	586.0

Chemical Identifiers

CAS Number	104946-77-2
SMILES	`CC1=CC(=C(C=C1)N=CN(C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C)C`
InChIKey	`AOXIJYIQHNKSQM-UHFFFAOYSA-N`

📖 Product Overview

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate (CAS: 104946-77-2) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.5 g/mol. Its IUPAC systematic name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate. LogP 4.7 Topological Polar Surface Area 88.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 413.1773 Heavy Atoms 29 Complexity 586.0 InChI Key: AOXIJYIQHNKSQM-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)N=CN(C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate.

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