2H-Purin-2-one,8-(cyclohexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-

Modify Date: 2023-10-11 19:23:31

2H-Purin-2-one,8-(cyclohexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo- Structure
2H-Purin-2-one,8-(cyclohexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo- structure
Common Name 2H-Purin-2-one,8-(cyclohexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
CAS Number 6493-42-1 Molecular Weight 310.43800
Density 1.42g/cm3 Boiling Point 528.9ºC at 760 mmHg
Molecular Formula C13H18N4OS2 Melting Point N/A
MSDS N/A Flash Point 273.6ºC

 Names

Name 8-cyclohexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 528.9ºC at 760 mmHg
Molecular Formula C13H18N4OS2
Molecular Weight 310.43800
Flash Point 273.6ºC
Exact Mass 310.09200
PSA 113.00000
LogP 2.75440
Index of Refraction 1.693

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093550
CHEMICAL NAME :
Theophylline, 8-cyclohexylthio-6-thio-
CAS REGISTRY NUMBER :
6493-42-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H18-N4-O-S2
MOLECULAR WEIGHT :
310.47
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS- AL6TJ& F1 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#04444

 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

6-Thio-8-cyclohexylthiotheophylline
Theophylline,8-cyclohexylthio-6-thio
Uric acid,8-cyclohexylthio-1,3-dimethyl-6-thio
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