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Substance Name: 1,3-Dibutyl-2-thiourea
RN: 109-46-6
UNII: 3154M2Q6GD
InChIKey: KFFQABQEJATQAT-UHFFFAOYSA-N

Note

  • May cause contact dermatitis.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C9-H20-N2-S

Molecular Weight

  • 188.337
 
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Names and Synonyms

Name of Substance

  • 1,3-Dibutyl-2-thiourea

Synonyms

  • 1,3-Di-n-butyl-2-thiourea
  • 1,3-Dibutyl-2-thiourea
  • 1,3-Dibutylthiourea
  • 4-04-00-00585 (Beilstein Handbook Reference)
  • AI3-08621
  • BRN 0507434
  • EINECS 203-674-6
  • N,N'-Dibutylthiourea
  • NSC 3735
  • Pennzone B
  • Thiate U
  • Thiourea, N,N'-dibutyl-
  • UNII-3154M2Q6GD
  • Urea, 1,3-di-N-butyl-2-thio-
  • USAF EK-2138

Systematic Names

  • 1,3-Dibutyl-2-thiourea
  • Thiourea, N,N'-dibutyl-
  • Urea, 1,3-dibutyl-2-thio-
  • Urea,1,3-dibutyl-2-thio- (8CI)

Superlist Name

  • N,N'-Dibutylthiourea

Registry Numbers

CAS Registry Number

  • 109-46-6

FDA UNII

  • 3154M2Q6GD

Other Registry Number

  • 30551-64-5

System Generated Number

  • 0000109466

Structure Descriptors

InChI

1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

InChIKey

KFFQABQEJATQAT-UHFFFAOYSA-N

Smiles

N(C(NCCCC)=S)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD50 oral 350mg/kg (350mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64 deg C   EXP
log P (octanol-water) 2.75 (none)   EXP
Water Solubility 2290 mg/L 25 EST
Vapor Pressure 2.38E-03 mm Hg 25 EST
Henry's Law Constant 4.17E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.53E-10 cm3/molecule-sec 25 EST

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