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Substance Name: 2,5-Dimercapto-1,3,4-thiadiazole
RN: 1072-71-5
UNII: 2S78T9T08C
InChIKey: BIGYLAKFCGVRAN-UHFFFAOYSA-N

Note

  • Reagent for colorimetric anal of lead.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C2-H2-N2-S3

Molecular Weight

  • 150.25
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimercapto-1,3,4-thiadiazole

Synonyms

  • 1,3,4-Thiadiazol-dithiol-(2,5)
  • 1,3,4-Thiadiazol-dithiol-(2,5) [German]
  • 1,3,4-Thiadiazole-2,5-dithiol
  • 1,3,4-Thiadiazolidine-2,5-dithione
  • 2,5-Dimercapto-1,3,4-thiadiazole
  • 2,5-Dimercapto-1,3,4-thiodiazole
  • 2,5-Dimercaptothiadiazole
  • AI3-18635
  • Bismuthiol I
  • Dimercaptothiadiazole
  • EINECS 214-014-1
  • NSC 4645
  • PY 61H
  • UNII-2S78T9T08C
  • USAF A-8354

Systematic Names

  • 1,3,4-Thiadiazole-2,5-dithiol
  • 1,3,4-Thiadiazolidine-2,5-dithione

Registry Numbers

CAS Registry Number

  • 1072-71-5

FDA UNII

  • 2S78T9T08C

Other Registry Numbers

  • 10472-91-0
  • 10502-35-9
  • 66057-67-8

Related Registry Numbers

  • 4628-94-8 (di-potassium salt)
  • 55906-42-8 (di-hydrochloride salt)

System Generated Number

  • 0001072715

Structure Descriptors

InChI

1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

InChIKey

BIGYLAKFCGVRAN-UHFFFAOYSA-N

Smiles

c1(sc(S)n[nH]1)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.630 (none)   EST
Water Solubility 2.64E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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