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Substance Name: S-(1,2-Dichlorovinyl)cysteine
RN: 627-72-5
InChIKey: PJIHCWJOTSJIPQ-AGFFZDDWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H7-Cl2-N-O2-S

Molecular Weight

  • 216.0873
 
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Names and Synonyms

Name of Substance

  • S-(1,2-Dichlorovinyl)cysteine

Synonyms

  • CCRIS 2073
  • DCVC
  • NSC 15830
  • S-(1,2-Dichloroethenyl)-L-cysteine
  • S-(1,2-Dichlorovinyl)-L-cysteine
  • S-Dichlorovinyl-L-cysteine

Systematic Names

  • Alanine, 3-((1,2-dichlorovinyl)thio)-, L-
  • L-Cysteine, S-(1,2-dichloroethenyl)- (9CI)
  • S-(1,2-Dichlorovinyl)-L-cysteine

Registry Numbers

CAS Registry Number

  • 627-72-5

Other Registry Numbers

  • 131907-86-3
  • 29728-72-1
  • 89395-03-9

System Generated Number

  • 0000627725

Structure Descriptors

InChI

1S/C5H7Cl2NO2S/c6-1-4(7)11-2-3(8)5(9)10/h1,3H,2,8H2,(H,9,10)/b4-1+/t3-/m0/s1

InChIKey

PJIHCWJOTSJIPQ-AGFFZDDWSA-N

Smiles

C(S\C(=C\Cl)Cl)[C@@H](C(O)=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 20mg/kg (20mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Food and Cosmetics Toxicology. Vol. 3, Pg. 67, 1965.
mouse LD50 intraperitoneal 45mg/kg (45mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

GASTROINTESTINAL: OTHER CHANGES
Food and Cosmetics Toxicology. Vol. 3, Pg. 67, 1965.
rabbit LDLo intravenous 10mg/kg (10mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Food and Cosmetics Toxicology. Vol. 3, Pg. 67, 1965.
rat LDLo intraperitoneal 50mg/kg (50mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

LIVER: FATTY LIVER DEGERATION
Food and Cosmetics Toxicology. Vol. 3, Pg. 67, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.390 (none)   EST
Water Solubility 7000 mg/L 5 EXP
Atmospheric OH Rate Constant 5.27E-11 cm3/molecule-sec 25 EST

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