2H-1,3,5-Thiadiazine-2-thione,5-butyltetrahydro-3-(phenylmethyl)-

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Names

[ CAS No. ]:
21808-80-0

[ Name ]:
2H-1,3,5-Thiadiazine-2-thione,5-butyltetrahydro-3-(phenylmethyl)-

[Synonym ]:
2-Thioxo-5-butyl-3-benzyl-tetrahydro-1,3,5-thiadiazin
2-Thio-3-benzyl-5-butyl-tetrahydro-1,3,5-thiadiazin
2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3-benzyl-5-butyl

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
397.8ºC at 760mmHg

[ Molecular Formula ]:
C14H20N2S2

[ Molecular Weight ]:
280.45200

[ Flash Point ]:
194.4ºC

[ Exact Mass ]:
280.10700

[ PSA ]:
63.87000

[ LogP ]:
3.41320

[ Vapour Pressure ]:
1.54E-06mmHg at 25°C

[ Index of Refraction ]:
1.64

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI2737000
CHEMICAL NAME :
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
CAS REGISTRY NUMBER :
21808-80-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H20-N2-S2
MOLECULAR WEIGHT :
280.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,558,1969
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 :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • Formaldehyde
  • n-butylamine
  • Benzylamine

DownStream

Related Compounds

  • (3-Chloro-4-methylthiophen-2-yl)methanamine
  • 5H-Cyclopenta[b]pyridine-3-carboxylic acid, 2-(diethylamino)-6,7-dihydro-
  • [(3-Chloro-4-methylthiophen-2-yl)methyl](methyl)amine
  • 2-Ethoxy-5-(trifluoromethyl)benzoic acid
  • 1-[(3-Chloro-4-methylthiophen-2-yl)methyl]piperazine
  • (3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((4-chlorobenzyl)glycyl)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-2-one
  • 3-(Methylamino)isonicotinamide
  • tert-butyl (4-chlorobenzyl)(2-((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-3aH-cyclopenta[a]chrysen-3a-yl)-2-oxoethyl)carbamate
  • 2-(Ethoxycarbonyl)-2-propen-1-yl 3,4,5-trimethoxybenzoate
  • (3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-(1-hydroxy-2-nitroethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl acetate
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