6H-Purin-6-one,8-(cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
Names
[ CAS No. ]:
6466-13-3
[ Name ]:
6H-Purin-6-one,8-(cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
[Synonym ]:
Uric acid,8-cyclohexylthio-1,3-dimethyl-2-thio
2-Thio-8-cyclohexylthiotheophylline
Theophylline,8-cyclohexylthio-2-thio
Chemical & Physical Properties
[ Density]:
1.42g/cm3
[ Boiling Point ]:
528.9ºC at 760mmHg
[ 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 :
- XH5093500
- CHEMICAL NAME :
- Theophylline, 8-cyclohexylthio-2-thio-
- CAS REGISTRY NUMBER :
- 6466-13-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H18-N4-O-S2
- MOLECULAR WEIGHT :
- 310.47
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CS- AL6TJ& F1 GUS H1
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#04445
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%