(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate

CAS: 50539-71-4

Molecular Formula	`C23H29NO3S`
Molecular Weight	399.5 g/mol
LogP	6.7
Topological Polar Surface Area	72.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	399.18683
Heavy Atoms	28
Complexity	544.0

Chemical Identifiers

CAS Number	50539-71-4
SMILES	`CC1=C(C=CC(=C1)C(C)(C)C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C`
InChIKey	`ATLXYWVNKKEMCS-UHFFFAOYSA-N`

📖 Product Overview

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate (CAS: 50539-71-4) is a chemical compound with molecular formula C23H29NO3S and molecular weight 399.5 g/mol. Its IUPAC systematic name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate. LogP 6.7 Topological Polar Surface Area 72.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 399.18683 Heavy Atoms 28 Complexity 544.0 InChI Key: ATLXYWVNKKEMCS-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)C(C)(C)C)SCNC(=O)OC2=CC=CC3=C2OC(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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