BRN 1438620

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

CAS: 50539-77-0

Molecular Formula	`C19H18N2O3S`
Molecular Weight	354.4 g/mol
LogP	4.3
Topological Polar Surface Area	96.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	354.10382
Heavy Atoms	25
Complexity	522.0

Chemical Identifiers

CAS Number	50539-77-0
SMILES	`CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)C#N)C`
InChIKey	`AZHXRISIMDLSQN-UHFFFAOYSA-N`

📖 Product Overview

BRN 1438620 (CAS: 50539-77-0) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.4 g/mol. Its IUPAC systematic name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-cyanophenyl)sulfanylmethyl]carbamate. LogP 4.3 Topological Polar Surface Area 96.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 354.10382 Heavy Atoms 25 Complexity 522.0 InChI Key: AZHXRISIMDLSQN-UHFFFAOYSA-N. SMILES: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)C#N)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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