6-[(2-chlorophenyl)methylsulfanyl]-7H-purine

Modify Date: 2025-09-21 00:01:07

6-[(2-chlorophenyl)methylsulfanyl]-7H-purine structure	Common Name	6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
	CAS Number	5069-68-1	Molecular Weight	276.74500
	Density	1.51g/cm3	Boiling Point	426.8ºC at 760 mmHg
	Molecular Formula	C₁₂H₉ClN₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	211.9ºC

Name	6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
Synonym	More Synonyms

Density	1.51g/cm3
Boiling Point	426.8ºC at 760 mmHg
Molecular Formula	C₁₂H₉ClN₄S
Molecular Weight	276.74500
Flash Point	211.9ºC
Exact Mass	276.02400
PSA	79.76000
LogP	3.29860
Index of Refraction	1.753
InChIKey	ZITSATWAZDKOBF-UHFFFAOYSA-N
SMILES	Clc1ccccc1CSc1ncnc2nc[nH]c12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO7520200

CHEMICAL NAME :: Purine, 6-((o-chlorobenzyl)thio)-

CAS REGISTRY NUMBER :: 5069-68-1

LAST UPDATED :: 198502

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H9-Cl-N4-S

MOLECULAR WEIGHT :: 276.76

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 252 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

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%

2-chlorobenzyl 7h-purin-6-yl sulfide

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