1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)- (9CI)
Names
[ CAS No. ]:
74039-58-0
[ Name ]:
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)- (9CI)
[Synonym ]:
8-(Propylthio)theobromine
3,7-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione
Theobromine,8-(propylthio)
Chemical & Physical Properties
[ Density]:
1.46g/cm3
[ Molecular Formula ]:
C10H14N4O2S
[ Molecular Weight ]:
254.30900
[ Exact Mass ]:
254.08400
[ PSA ]:
97.98000
[ LogP ]:
0.46240
[ Index of Refraction ]:
1.689
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH2500000
- CHEMICAL NAME :
- Theobromine, 8-(propylthio)-
- CAS REGISTRY NUMBER :
- 74039-58-0
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H14-N4-O2-S
- MOLECULAR WEIGHT :
- 254.34
- WISWESSER LINE NOTATION :
- T56 BN DN FNVMVJ B1 CS3 F1
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 :
- 320 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#02446
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%