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Substance Name: Bis(S-methylisothiouronium) sulfate
RN: 867-44-7
UNII: H834R05C26
InChIKey: BZZXQZOBAUXLHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C2-H6-N2-S.1/2H2-O4-S
  • C4-H12-N4-S2.H2-O4-S

Molecular Weight

  • 278.377
 
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Names and Synonyms

Name of Substance

  • Bis(S-methylisothiouronium) sulfate

Synonyms

  • 2-Methyl-2-thiopseudourea sulfate
  • 2-Methyl-2-thiopseudourea sulfate (2:1)
  • AI3-50026
  • EINECS 212-759-7
  • Methylcarbamimidothioate sulfate (2:1)
  • Methylthiopseudourea sulfate
  • NSC 516
  • Pseudourea, 2-methyl-2-thio-, hydrogen sulfate
  • S-Methylisothiourea hemisulfate
  • S-Methylisothiourea sulfate
  • S-Methylisothiourea sulfate (2:1)
  • S-Methylthiouronium sulfate (2:1)
  • UNII-H834R05C26

Systematic Names

  • Bis(2-methylisothiouronium) sulphate
  • Carbamimidothioic acid, methyl ester, sulfate (2:1)
  • Carbamimidothioic acid, methyl-, sulfate (2:1)
  • Pseudourea, 2-methyl-2-thio-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 867-44-7

FDA UNII

  • H834R05C26

Other Registry Number

  • 72046-63-0

Related Registry Number

  • 2986-19-8 (Parent)

System Generated Number

  • 0000867447

Molecular Formulas

Molecular Formulas

  • C2-H6-N2-S.1/2H2-O4-S
  • C4-H12-N4-S2.H2-O4-S

Molecular Formula Fragments

  • C2-H6-N2-S
  • C4-H12-N4-S2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)

InChIKey

BZZXQZOBAUXLHZ-UHFFFAOYSA-N

Smiles

S(O)(O)(=O)=O.C(SC)(N)=N.C(SC)(N)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 663mg/kg (663mg/kg)   Therapie. Vol. 14, Pg. 700, 1959.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD438-895,
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05644,