9H-Purine,6-(butylthio)-

Modify Date: 2025-09-28 18:46:38

9H-Purine,6-(butylthio)- structure	Common Name	9H-Purine,6-(butylthio)-
	CAS Number	5069-82-9	Molecular Weight	208.28300
	Density	1.28g/cm3	Boiling Point	457.6ºC at 760mmHg
	Molecular Formula	C₉H₁₂N₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	230.6ºC

Name	6-butylsulfanyl-7H-purine
Synonym	More Synonyms

Density	1.28g/cm3
Boiling Point	457.6ºC at 760mmHg
Molecular Formula	C₉H₁₂N₄S
Molecular Weight	208.28300
Flash Point	230.6ºC
Exact Mass	208.07800
PSA	79.76000
LogP	2.24510
Index of Refraction	1.694
InChIKey	VSDRAVPZXXXJDG-UHFFFAOYSA-N
SMILES	CCCCSc1ncnc2nc[nH]c12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO7516500

CHEMICAL NAME :: Purine, 6-(butylthio)-

CAS REGISTRY NUMBER :: 5069-82-9

LAST UPDATED :: 198502

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H12-N4-S

MOLECULAR WEIGHT :: 208.31

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 :: 181 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

1-Bromobutane

CAS#:109-65-9

6-Mercaptopurine

CAS#:50-44-2

9H-Purine,6-(bu...

CAS#:5069-82-9

Literature: Elion et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 1898,1901 Full Text Show Details Skinner et al. Journal of the American Chemical Society, 1956 , vol. 78, p. 5097,5098 Journal of the American Chemical Society, 1958 , vol. 80, p. 6697

6-Mercaptopurine

CAS#:50-44-2

Butyl iodide

CAS#:542-69-8

9H-Purine,6-(bu...

CAS#:5069-82-9

Literature: Johnston et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 6265,6266,6268,6269,6270

butanethiol

CAS#:109-79-5

6-chloropurine

CAS#:87-42-3

9H-Purine,6-(bu...

CAS#:5069-82-9

Literature: Koppel et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 259,260

Precursor 5
CAS#:109-65-9 1-Bromobutane CAS#:50-44-2 6-Mercaptopurine CAS#:542-69-8 Butyl iodide CAS#:109-79-5 butanethiol
CAS#:87-42-3 6-chloropurine
DownStream 1
CAS#:82499-13-6 6-butylsulfonyl...

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%

SRI 712

6-n-butylthiopurine

6-(Butylthio)-1H-purine

Purine,6-(butylthio)

6-butylmercapto-7(9)H-purine

6-Butyl MP

6-(butylsulfanyl)-7H-purine

6-(Butylmercapto)purine

6-Butylmercapto-7(9)H-purin

6-n-Butylmercaptopurine

6-(butylthio)-purine

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Product Name: 9H-Purine,6-(butylthio)-
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Purity: 98.0%
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9H-Purine,6-(butylthio)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.