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Substance Name: 1,3-Bis(benzothiazol-2-ylthiomethyl)urea
RN: 95-35-2
UNII: 0214C2T14J
InChIKey: WYHIYIVTCWNVCW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C17-H14-N4-O-S4

Molecular Weight

  • 418.589
 
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Names and Synonyms

Name of Substance

  • 1,3-Bis(benzothiazol-2-ylthiomethyl)urea

Synonyms

  • 1,3-Bis((2-benzothiazolylthio)methyl)urea
  • 1,3-Bis(2-benzothiazolemercaptomethyl)urea
  • EINECS 202-412-8
  • EL 60
  • N,N'-Bis(2-benzothiazolylthiomethylene)urea
  • NSC 4826
  • UNII-0214C2T14J
  • Urea, 1,3-bis(((2-benzothiazolyl)mercapto)methyl)-

Systematic Names

  • 1,3-Bis(benzothiazol-2-ylthiomethyl)urea
  • Urea, 1,3-bis(2-benzothiazolylthiomethyl)-
  • Urea, N,N'-bis((2-benzothiazolylthio)methyl)-

Registry Numbers

CAS Registry Number

  • 95-35-2

FDA UNII

  • 0214C2T14J

System Generated Number

  • 0000095352

Structure Descriptors

InChI

1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)

InChIKey

WYHIYIVTCWNVCW-UHFFFAOYSA-N

Smiles

O=C(NCSc1nc2c(cccc2)s1)NCSc1nc2c(cccc2)s1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 6gm/kg (6000mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 311, 1952.