6-(Benzylthio)purin-2-ol

Modify Date: 2025-09-23 09:30:24

6-(Benzylthio)purin-2-ol structure	Common Name	6-(Benzylthio)purin-2-ol
	CAS Number	5446-42-4	Molecular Weight	258.29900
	Density	1.51g/cm3	Boiling Point	662ºC at 760mmHg
	Molecular Formula	C₁₂H₁₀N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	354.2ºC

Name	6-benzylsulfanyl-3,7-dihydropurin-2-one
Synonym	More Synonyms

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
InChIKey	XKLXGBRBFJZZOP-UHFFFAOYSA-N
SMILES	O=c1nc(SCc2ccccc2)c2[nH]cnc2[nH]1

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%

6-benzylmercapto-3,7-dihydro-purin-2-one

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Product Name: 6-(Benzylthio)purin-2-ol
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