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

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Names

[ CAS No. ]:
6493-42-1

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

[Synonym ]:
6-Thio-8-cyclohexylthiotheophylline
Theophylline,8-cyclohexylthio-6-thio
Uric acid,8-cyclohexylthio-1,3-dimethyl-6-thio

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%

Related Compounds

  • 2-(3-(azepan-1-ylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(3,4-dimethoxyphenyl)acetamide
  • 2-(3-(azepan-1-ylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(2-ethoxyphenyl)acetamide
  • 2-(3-(azepan-1-ylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(3-(methylthio)phenyl)acetamide
  • 2-(3-(azepan-1-ylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(2-methoxy-5-methylphenyl)acetamide
  • N-(4-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)-2-oxopyridin-1(2H)-yl]acetamide
  • 3-(azepan-1-ylsulfonyl)-1-(2-(6-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)-2-oxoethyl)pyridin-2(1H)-one
  • 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-propyl-1,4-dihydroquinolin-4-one
  • 2-Nitro-5-(pyridin-3-yl)pyridine
  • 3-(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)-6-fluoro-1-propylquinolin-4(1H)-one
  • (Pyridine-d4)-3-boronic acid pinacol ester
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