(2,5-dihydroxyphenyl)sulfanylmethanimidamide hydrochloride

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Names

[ CAS No. ]:
6274-93-7

[ Name ]:
(2,5-dihydroxyphenyl)sulfanylmethanimidamide hydrochloride

[Synonym ]:
N-Acetyl 2,4-dinitrophenyl cysteine
mercapturic acid
NAc-DNP-Cys
S-dinitrophenyl-N-acetylcysteine

Chemical & Physical Properties

[ Density]:
1.54g/cm3

[ Boiling Point ]:
396.3ºC at 760 mmHg

[ Molecular Formula ]:
C7H9ClN2O2S

[ Molecular Weight ]:
220.67700

[ Flash Point ]:
193.5ºC

[ Exact Mass ]:
220.00700

[ PSA ]:
115.63000

[ LogP ]:
2.68540

[ Index of Refraction ]:
1.689

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM3675000
CHEMICAL NAME :
Pseudourea, 2-(2,5-dihydroxyphenyl)-2-thio-, monohydrochloride
CAS REGISTRY NUMBER :
6274-93-7
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N2-O2-S.Cl-H
MOLECULAR WEIGHT :
220.69
WISWESSER LINE NOTATION :
QR DQ CSYZUM &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,4-Benzoquinone
  • Hydrochloric acid

DownStream

  • 5-Hydroxy-1,3-benzoxathiol-2-one

Related Compounds

  • 3-(4-Fluorophenyl)pyrazine-2-carboxylic acid
  • 1H-1,2,4-Triazole-5-methanamine, 3-[4-(trifluoromethyl)phenyl]-
  • N-methyl-6-(trifluoromethyl)pyridazin-3-amine
  • tert-Butyl 4-(3-ethyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
  • 3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazole
  • 4-Hydroxy-6-ethoxyquinoline-3-carbohydrazide
  • 2-Ethyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
  • 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • 2-Chloro-n-phenyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonamide
  • 5-Bromo-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
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