(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

  • N-(3-chloro-4-methoxyphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
  • 3-cyano-N-(2-((3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)benzamide
  • N-(2-((3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)tetrahydrofuran-3-carboxamide
  • 4-[3-(4-Fluorophenyl)azepane-1-carbonyl]benzonitrile
  • (3-(2,5-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl)(3-(4-fluorophenyl)azepan-1-yl)methanone
  • Disodium ethylarsonate
  • (3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(3-(4-fluorophenyl)azepan-1-yl)methanone
  • N-benzyl-3-(4-fluorophenyl)azepane-1-carboxamide
  • N-(4-chlorobenzyl)-3-(4-fluorophenyl)azepane-1-carboxamide
  • (R)-2-(Methoxymethyl)-1-methylpiperazine
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