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135718-67-1

135718-67-1 structure

135718-67-1 structure

Name: 3-Amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo(4,5)thien o(2,3-d)pyrimidine HI
Chemical Name: 2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine,hydroiodide
CAS Number: 135718-67-1
Molecular Formula: C₁₇H₂₀IN₃S₂
Molecular Weight: 457.39500
Create Date: 2016-06-14 03:12:46
Modify Date: 2025-09-26 16:25:25

Name	2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine,hydroiodide
Synonyms	(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

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

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

128352-86-3 structure

128352-86-3

74-88-4 structure

74-88-4

~86%

135718-67-1 structure

135718-67-1

Literature: Vega, S; Alonso, J; Diaz, JA; Junquera, F; Perez, C; et al. European Journal of Medicinal Chemistry, 1991 , vol. 26, # 3 p. 323 - 329

Precursor 2
128352-86-3 74-88-4
DownStream 0

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