1874-58-4

1874-58-4 structure
1874-58-4 structure
  • Name: 9H-Purin-2-amine,6-[(phenylmethyl)thio]-
  • Chemical Name: 6-benzylsulfanyl-7H-purin-2-amine
  • CAS Number: 1874-58-4
  • Molecular Formula: C12H11N5S
  • Molecular Weight: 257.31400
  • Create Date: 2017-01-12 14:55:40
  • Modify Date: 2024-01-08 21:59:32

Name 6-benzylsulfanyl-7H-purin-2-amine
Synonyms 2-Amino-6-benzylmercaptopurine
SRI 702
Benzylthioguanine
6-Benzylthioguanine
2-amino-6-[(phenylmethyl)thio]purine
2-Amino-6-benzyl-MP
6-benzylsulfanyl-7(9)H-purin-2-ylamine
Benzythioguanine
Purine,2-amino-6-(benzylthio)
6-(benzylsulfanyl)-9H-purin-2-amine
2-amino-6-(benzyl-thio)purine
S6-benzyl-6-thioguanine
6-[(phenylmethyl)thio]-1H-purin-2-amine
Density 1.5g/cm3
Boiling Point 441.7ºC at 760 mmHg
Molecular Formula C12H11N5S
Molecular Weight 257.31400
Flash Point 220.9ºC
Exact Mass 257.07400
PSA 105.78000
LogP 2.80860
Vapour Pressure 5.34E-08mmHg at 25°C
Index of Refraction 1.789

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7501000
CHEMICAL NAME :
Purine, 2-amino-6-(benzylthio)-
CAS REGISTRY NUMBER :
1874-58-4
LAST UPDATED :
199206
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H11-N5-S
MOLECULAR WEIGHT :
257.34

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 :
222 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 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 4,291,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 4,291,1962