Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Thiodipropionic acid
RN: 111-17-1
UNII: 3BBK323ED8
InChIKey: ODJQKYXPKWQWNK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O4-S

Molecular Weight

  • 178.207
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3,3'-Thiodipropionic acid
  • Thiodipropionic acid

Synonyms

  • 3,3'-Thiobis(propanoic acid)
  • 3,3'-Thiodipropionic acid
  • 4-Thiaheptanedioic acid
  • AI3-25276
  • Bis(2-carboxyethyl) sulfide
  • CCRIS 3288
  • Diethyl sulfide 2,2'-dicarboxylic acid
  • EC 203-841-3
  • EINECS 203-841-3
  • HSDB 858
  • Kyselina 3,3-thiodipropionova
  • Kyselina 3,3-thiodipropionova [Czech]
  • Kyselina beta,beta'-thiodipropionova
  • Kyselina beta,beta'-thiodipropionova [Czech]
  • NSC 8166
  • Propanoic acid, 3,3'-thiobis-
  • Propionic acid, 3,3'-thiodi-
  • Sulfide, bis(2-carboxyethyl)
  • TDPA
  • Thiahydracrylic acid
  • Thiodihydracrylic acid
  • Thiodipropionic acid
  • Tyox A
  • UNII-3BBK323ED8

Systematic Names

  • 3,3'-Thiodi(propionic acid)
  • Propanoic acid, 3,3'-thiobis-
  • Propionic acid, 3,3'-thiodi-

Superlist Name

  • Thiodipropionic acid

Registry Numbers

CAS Registry Number

  • 111-17-1

FDA UNII

  • 3BBK323ED8

System Generated Number

  • 0000111171

Structure Descriptors

InChI

1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

ODJQKYXPKWQWNK-UHFFFAOYSA-N

Smiles

C(CCSCCC(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
mouse LD50 intravenous 175mg/kg (175mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
mouse LD50 oral 2gm/kg (2000mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
rat LD50 oral 3gm/kg (3000mg/kg)   Advances in Food Research. Vol. 3, Pg. 197, 1951.
rat LDLo intravenous 150mg/kg (150mg/kg)   Journal of the American College of Toxicology. Vol. 11, Pg. 25, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 129 deg C   EXP
pKa Dissociation Constant 4.11 (none) 25 EXP
log P (octanol-water) -0.180 (none)   EST
Water Solubility 3.72E+04 mg/L 26 EXP
Atmospheric OH Rate Constant 2.24E-11 cm3/molecule-sec 25 EST

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