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6559-88-2

6559-88-2 structure
6559-88-2 structure
  • Name: Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • Chemical Name: 8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
  • CAS Number: 6559-88-2
  • Molecular Formula: C9H13N5OS2
  • Molecular Weight: 271.36200
  • Create Date: 2017-11-22 03:30:39
  • Modify Date: 2024-01-10 16:20:48

Name 8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms Theophylline,8-(2-aminoethyl)thio-6-thio
6-Thio-8-(2'-aminoethyl)thiotheophylline
Uric acid,8-(2-aminoethyl)thio-1,3-dimethyl-6-thio
Density 1.55g/cm3
Boiling Point 510ºC at 760 mmHg
Molecular Formula C9H13N5OS2
Molecular Weight 271.36200
Flash Point 262.2ºC
Exact Mass 271.05600
PSA 139.02000
LogP 1.08070
Index of Refraction 1.745

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH3980000
CHEMICAL NAME :
Theophylline, 8-(2-aminoethyl)thio-6-thio-
CAS REGISTRY NUMBER :
6559-88-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N5-O-S2
MOLECULAR WEIGHT :
271.39
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS2Z 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#04461
HS Code 2933990090
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%