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

  • N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
  • 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)propanamide
  • N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
  • N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
  • Ethyl 4-((4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)amino)-4-oxobutanoate
  • 5-chloro-2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
  • N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
  • (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)acrylamide
  • 2-(2-fluorophenoxy)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
  • N-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide
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