3-Amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo(4,5)thien o(2,3-d)pyrimidine HI

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Names

[ CAS No. ]:
135718-67-1

[ Name ]:
3-Amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo(4,5)thien o(2,3-d)pyrimidine HI

[Synonym ]:
(1)Benzothieno(2,3-d)pyrimidin-3(4H)-amine,5,6,7,8-tetrahydro-2-(methylthio)-4-phenyl-,monohydriodide
3-amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo<4,5>thieno<2,3-d>pyrimidine hydroiodide
2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine hydroiodide
3-Amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo(4,5)thieno(2,3-d)pyrimidine HI

Chemical & Physical Properties

[ Boiling Point ]:
524ºC at 760mmHg

[ Molecular Formula ]:
C17H20IN3S2

[ Molecular Weight ]:
457.39500

[ Flash Point ]:
270.7ºC

[ Exact Mass ]:
457.01400

[ PSA ]:
95.16000

[ LogP ]:
5.32810

[ Vapour Pressure ]:
4.5E-11mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8240000
CHEMICAL NAME :
(1)Benzothieno(2,3-d)pyrimidin-3(4H)-amine, 5,6,7,8-tetrahydro-2-(methylthio)-4-phenyl-, monohydriodide
CAS REGISTRY NUMBER :
135718-67-1
LAST UPDATED :
199512
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H19-N3-S2.H-I
MOLECULAR WEIGHT :
457.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 327,779,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 26,323,1991

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-amino-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
  • methyl iodide

DownStream

Related Compounds

  • 2-(2,3-Dihydro-1-benzofuran-7-yl)propanal
  • Methyl 6-bromo-3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoate
  • 7-Fluorobenzo[d]isothiazol-6-amine
  • 3-Chloro-2-(cyclopropylmethoxy)-5-nitropyridine
  • Cyclohex-1-ene-1-sulfonyl fluoride
  • Tert-butyl 6-bromo-8-fluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
  • 2-(3-Fluoro-2-methylphenyl)ethanimidamide
  • tert-butyl N-[(3-bromo-5-fluorophenyl)(cyclopropyl)methyl]carbamate
  • tert-butyl N-[1-(4-bromo-2-fluorophenyl)cyclobutyl]carbamate
  • tert-butyl N-[2-(4-bromo-3-methoxyphenyl)propan-2-yl]carbamate