ACETONITRILE, (PURIN-6-YLTHIO)-

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Names

[ CAS No. ]:
5443-91-4

[ Name ]:
ACETONITRILE, (PURIN-6-YLTHIO)-

[Synonym ]:
6-Cyanomethyl MP
6-cyanomethylthiopurine

Chemical & Physical Properties

[ Density]:
1.61g/cm3

[ Boiling Point ]:
371.4ºC at 760 mmHg

[ Molecular Formula ]:
C7H5N5S

[ Molecular Weight ]:
191.21300

[ Flash Point ]:
178.4ºC

[ Exact Mass ]:
191.02700

[ PSA ]:
103.55000

[ LogP ]:
0.96858

[ Index of Refraction ]:
1.822

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1990000
CHEMICAL NAME :
Acetonitrile, (purin-6-ylthio)-
CAS REGISTRY NUMBER :
5443-91-4
BEILSTEIN REFERENCE NO. :
0013487
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-N5-S
MOLECULAR WEIGHT :
191.23

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 :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982

Related Compounds

  • 2-Propanone, (purin-6-ylthio)-
  • Pentanoic acid,5-(9H-purin-6-ylthio)-
  • Acetamide,N-[4-(9H-purin-6-ylthio)phenyl]-
  • Acetic acid,2-(9H-purin-6-ylthio)-, hydrazide
  • Butanedioic acid, 2-(9H-purin-6-ylthio)-, 1,4-diethyl ester
  • 1,2-Propanediol, 3-(1H-purin-6-ylthio)-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-(2-(7-methoxy-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-1-naphthamide
  • 1-(4-Methoxyphenyl)-6-(methylthio)-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 3-(3,4-Dimethoxybenzenesulfonyl)propanoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde