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Substance Name: Buthiobate [BSI:ISO]
RN: 51308-54-4
UNII: 1279ZLY2IL
InChIKey: ZZVVDIVWGXTDRQ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data

Molecular Formula

  • C21-H28-N2-S2

Molecular Weight

  • 372.5982
 
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Names and Synonyms

Results Name

  • Buthiobate [BSI:ISO]

Name of Substance

  • Buthiobate
  • Buthiobate [BSI:ISO]

Synonyms

  • 3-Pyridinylcarbonimidodithioic acid butyl (4-(1,1-dimethylethyl)phenyl)methyl ester
  • BRN 0496463
  • Buthiobate
  • Butiobate
  • Butyl (4-(1,1-dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate
  • Butyl 4-tert-butylbenzyl N-(3-pyridyl)dithiocarbonimidate
  • Denmert
  • EINECS 257-128-7
  • N-(3-Pyridyl) S-butyl S'-(p-tert-butylbenzyl)imidodithiocarbonate
  • S 1358
  • S-1358
  • S-n-Butyl S'-p-tert-butylbenzyl N-3-pyridyldithiocarbonimidate
  • UNII-1279ZLY2IL

Systematic Names

  • Butyl p-tert-butylbenzyl 3-pyridylimidodithiocarbonate
  • Carbonimidodithioic acid, 3-pyridinyl-, butyl (4-(1,1-dimethylethyl)phenyl)methyl ester
  • S-(n-Butyl)-S'-(p-tert-butylbenzyl) N-(3-pyridyl)-5-dithiocarbonimidate

Registry Numbers

CAS Registry Number

  • 51308-54-4

FDA UNII

  • 1279ZLY2IL

System Generated Number

  • 0051308544

Structure Descriptors

InChI

1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3

InChIKey

ZZVVDIVWGXTDRQ-UHFFFAOYSA-N

Smiles

CCCCSC(=Nc1cccnc1)SCc2ccc(cc2)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 8, Pg. 108, 1987.
quail LD50 oral 21804mg/kg (21804mg/kg)   Pesticide Manual. Vol. 8, Pg. 108, 1987.
rat LD50 oral 2700mg/kg (2700mg/kg)   Agricultural and Biological Chemistry. Vol. 39, Pg. 1605, 1975.
rat LD50 skin > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 8, Pg. 108, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31-33 deg C   EXP
log P (octanol-water) 7 (none)   EXP
Water Solubility 1 mg/L 25 EXP
Vapor Pressure 6.91E-09 mm Hg 25 EST
Henry's Law Constant 8.86E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.