1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]-
Names
[ CAS No. ]:
73747-35-0
[ Name ]:
1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]-
[Synonym ]:
8-(Isopentylthio)caffeine
8-[(3-methylbutyl)sulfanyl]caffeine
CAFFEINE,8-(ISOPENTYLTHIO)
Chemical & Physical Properties
[ Density]:
1.3g/cm3
[ Boiling Point ]:
467.2ºC at 760 mmHg
[ Molecular Formula ]:
C13H20N4O2S
[ Molecular Weight ]:
296.38900
[ Flash Point ]:
236.3ºC
[ Exact Mass ]:
296.13100
[ PSA ]:
87.12000
[ LogP ]:
1.10890
[ Index of Refraction ]:
1.631
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6570000
- CHEMICAL NAME :
- Caffeine, 8-(isopentylthio)-
- CAS REGISTRY NUMBER :
- 73747-35-0
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H20-N4-O2-S
- MOLECULAR WEIGHT :
- 296.43
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 CS2Y1&1 F1 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 :
- 32 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#02443