butyl N-[({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino)sulfanyl]-N-methylcarbamate

• ChemBase ID: 157861
• Molecular Formular: C18H26N2O5S
• Molecular Mass: 382.47444
• Monoisotopic Mass: 382.15624294
• SMILES: CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C2)(C)C
• Canonical SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
• InChI: InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
• InChIKey: HAWJXYBZNNRMNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl N-[({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino)sulfanyl]-N-methylcarbamate
• IUPAC Traditional name: promet
• Synonyms: Furathiocarb; 呋线威

Database IDs

• CAS Number: 65907-30-4
• EC Number: 265-974-3
• MDL Number: MFCD00078698
• Beilstein Number: 8396473
• PubChem SID: 162251997; 24869034
• PubChem CID: 47759

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.221822
• LogD (pH = 7.4): 4.221822
• Log P: 4.221822
• Molar Refractivity: 98.6092 cm^3
• Polarizability: 39.19941 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: DF6652100
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-26-36/38-43-48/22-50/53
• Safety Statements: 28-36/37-38-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H317-H319-H330-H373-H410
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C18H26N2O5S

DETAILS

Sigma Aldrich - 45517

Legal Information
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