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Substance Name: N-(2-Chlorophenyl)thiourea
RN: 5344-82-1
UNII: NEP40W9Y41
InChIKey: YZUKKTCDYSIWKJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Cl-N2-S

Molecular Weight

  • 186.665
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 100/10000 lb
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Names and Synonyms

Name of Substance

  • N-(2-Chlorophenyl)thiourea

Synonyms

  • (o-Chlorophenyl)thiourea
  • 1-(2-Chlorophenyl)-2-thiourea
  • 1-(2-Chlorophenyl)thiourea
  • 1-(o-Chlorophenyl)thiourea
  • 2-Chlorophenyl thiourea
  • 2-Chlorophenylthiourea
  • 3-12-00-01296 (Beilstein Handbook Reference)
  • BRN 0776946
  • EINECS 226-291-6
  • HSDB 6041
  • N-(2-Chlorophenyl)thiourea
  • NSC 1165
  • RCRA waste number P026
  • Thiourea, (2-chlorophenyl)-
  • Thiourea, 1-(2-chlorophenyl)
  • UNII-NEP40W9Y41
  • Urea, 1-(o-chlorophenyl)-2-thio-

Systematic Names

  • 1-(2-Chlorophenyl)-2-thiourea
  • Thiourea, (2-chlorophenyl)-
  • Thiourea, N-(2-chlorophenyl)-
  • Urea, 1-(o-chlorophenyl)-2-thio-

Superlist Names

  • 1-(o-Chlorophenyl)thiourea
  • RCRA waste no. P026
  • Thiourea, (2-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 5344-82-1

FDA UNII

  • NEP40W9Y41

System Generated Number

  • 0005344821

Structure Descriptors

InChI

1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

YZUKKTCDYSIWKJ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)NC(N)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4600ug/kg (4.6mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
log P (octanol-water) 1.600 (none)   EST
Water Solubility 2.25E+04 mg/L 25 EST
Vapor Pressure 3.50E-04 mm Hg 25 EST
Henry's Law Constant 6.46E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.35E-11 cm3/molecule-sec 25 EST

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