1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-

Modify Date: 2024-01-08 17:25:08

1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl- Structure
1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl- structure
Common Name 1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-
CAS Number 6466-22-4 Molecular Weight 328.52000
Density 1.34g/cm3 Boiling Point 502.9ºC at 760mmHg
Molecular Formula C13H20N4S3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 8-hexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 502.9ºC at 760mmHg
Molecular Formula C13H20N4S3
Molecular Weight 328.52000
Exact Mass 328.08500
PSA 128.02000
LogP 4.37130
Index of Refraction 1.683

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5145000
CHEMICAL NAME :
Theophylline, 2,6-dithio-8-hexylthio-
CAS REGISTRY NUMBER :
6466-22-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H20-N4-S3
MOLECULAR WEIGHT :
328.55
WISWESSER LINE NOTATION :
T56 BM DN FNYNYJ CS6 F1 GUS H1 IUS

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 :
180 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#04449

 Safety Information

HS Code 2933990090

 Customs

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%

 Synonyms

Theophylline,2,6-dithio-8-hexylthio
Uric acid,1,3-dimethyl-2,6-dithio-8-hexylthio
2,6-Dithio-8-(N-hexylthio)theophylline
Theophylline,8-(hexylthio)dithio
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