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5446-42-4

5446-42-4 structure
5446-42-4 structure
  • Name: 6-(Benzylthio)purin-2-ol
  • Chemical Name: 6-benzylsulfanyl-3,7-dihydropurin-2-one
  • CAS Number: 5446-42-4
  • Molecular Formula: C12H10N4OS
  • Molecular Weight: 258.29900
  • Create Date: 2016-01-27 08:20:00
  • Modify Date: 2024-02-12 12:48:13

Name 6-benzylsulfanyl-3,7-dihydropurin-2-one
Synonyms 6-benzylmercapto-3,7-dihydro-purin-2-one
Density 1.51g/cm3
Boiling Point 662ºC at 760mmHg
Molecular Formula C12H10N4OS
Molecular Weight 258.29900
Flash Point 354.2ºC
Exact Mass 258.05800
PSA 99.73000
LogP 1.93850
Index of Refraction 1.77

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0787800
CHEMICAL NAME :
Purin-2-ol, 6-(benzylthio)-
CAS REGISTRY NUMBER :
5446-42-4
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H10-N4-O-S
MOLECULAR WEIGHT :
258.32
WISWESSER LINE NOTATION :
T56 BN DM FN HNJ GQ IS1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03047
HS Code 2933990090
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%