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Substance Name: Acetic acid, thio-, S-ester with 4-(bis(2-chloroethyl)amino)benzene thiol
RN: 1507-07-9
InChIKey: GVROKRSHIHCKSO-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-Cl2-N-O-S

Molecular Weight

  • 292.228
 
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Names and Synonyms

Synonyms

  • 4-13-00-01315 (Beilstein Handbook Reference)
  • Acetic acid, thio-, S-(bis(2-chloroethylamino)phenyl ester
  • BRN 2811875

Systematic Name

  • Acetic acid, thio-, S-ester with 4-(bis(2-chloroethyl)amino)benzene thiol

Registry Numbers

CAS Registry Number

  • 1507-07-9

System Generated Number

  • 0001507079

Structure Descriptors

InChI

1S/C12H15Cl2NOS/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3

InChIKey

GVROKRSHIHCKSO-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(SC(C)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 281mg/kg (281mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
rat LD50 intraperitoneal 202mg/kg (202mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.