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

Precursor & DownStream

Precursor

  • Carbon disulphide
  • Formaldehyde
  • n-butylamine
  • Benzylamine

DownStream


Related Compounds

  • 4-[(2-Fluoro-4-methylphenyl)methyl]piperidine
  • 5-(1H-Indol-3-ylmethyl)-piperazin-2-one
  • N-[2-(dimethylamino)ethyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide hydrochloride
  • 2H-Chromene-3-carboxylic acid benzylcarbamoyl-methyl ester
  • 4-Pyridazinecarbonyl chloride
  • Cyclopropyl-(4-methoxy-3-nitrobenzyl)-amine
  • 3-Phenyl-L-Proline
  • 1,3'-Biazetidine
  • 1H-Benzimidazol-5-amine, 1-(2-methylphenyl)-
  • 1-(Propan-2-yl)-4-(pyridin-4-yl)piperazine