(3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate

CAS: 77248-47-6

Molecular Formula	`C22H29NO3S2`
Molecular Weight	419.6 g/mol
LogP	6.0
Topological Polar Surface Area	99.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	419.15887
Heavy Atoms	28
Complexity	532.0

Chemical Identifiers

CAS Number	77248-47-6
SMILES	`CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)CNC(=O)OC2=CC=CC(=C2)C(C)C`
InChIKey	`BAHFWFXONIVCAW-UHFFFAOYSA-N`

📖 Product Overview

(3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate (CAS: 77248-47-6) is a chemical compound with molecular formula C22H29NO3S2 and molecular weight 419.6 g/mol. Its IUPAC systematic name is (3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate. LogP 6.0 Topological Polar Surface Area 99.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 419.15887 Heavy Atoms 28 Complexity 532.0 InChI Key: BAHFWFXONIVCAW-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)CNC(=O)OC2=CC=CC(=C2)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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📚 Academic Support

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