(Z)-Thiothixene

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Names

[ CAS No. ]:
3313-26-6

[ Name ]:
(Z)-Thiothixene

[Synonym ]:
Thiothixene
MFCD00079574
N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide
cis-Thiothixene
(Z)-Thiothixene

Chemical & Physical Properties

[ Density]:
1.269 g/cm3

[ Boiling Point ]:
599ºC at 760 mmHg

[ Melting Point ]:
114-118ºC

[ Molecular Formula ]:
C23H29N3O2S2

[ Molecular Weight ]:
443.62500

[ Flash Point ]:
316.1ºC

[ Exact Mass ]:
443.17000

[ PSA ]:
77.54000

[ LogP ]:
4.42730

[ Index of Refraction ]:
1.643

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XO1420000
CHEMICAL NAME :
Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene )-, (Z)-
CAS REGISTRY NUMBER :
3313-26-6
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H29-N3-O2-S2
MOLECULAR WEIGHT :
443.67
WISWESSER LINE NOTATION :
T C666 BS IYJ FSWN1&1 IU3- AT6N DNTJ D1 -C

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 12,142,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,17,1970

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Precautionary Statements ]:
P301 + P312 + P330

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
XO1420000

Related Compounds

  • (Z)-N-(2-hydroxyethyl)-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]glycine
  • (Z)-2-methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)prop-2-en-1-ol
  • (Z)-3-[2-hydroxy-3-(9-octadecenyloxy)propoxy]propane-1,2-diol
  • (Z)-3,7-dimethyl-2,6-octadien-4-ol
  • (Z)-5-methoxy-3,4-dihydronaphthalen-1(2H)-one oxime
  • (Z)-2-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
  • 2-{[(Tert-butoxy)carbonyl]amino}-3-(3,5-dichloropyridin-4-yl)propanoic acid
  • 5-(4-Methoxyoxan-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
  • Ethyl 5-(1,2-dimethoxyethyl)-1,2,4-oxadiazole-3-carboxylate
  • Ethyl 5-(3-methylcyclobutyl)-1,2,4-oxadiazole-3-carboxylate
  • benzyl N-(3-hydroxy-4-methylpentyl)carbamate
  • Benzyl 4-ethoxypiperazine-1-carboxylate
  • benzyl N-[(4-bromo-1-ethyl-1H-1,2,3-triazol-5-yl)methyl]carbamate
  • 5-(1,1-Difluoropropyl)-1,2,4-oxadiazole-3-carboxylic acid
  • (2R)-2-[(2S)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-4-hydroxybutanoic acid
  • ethyl 5-[(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl]-1,2,4-oxadiazole-3-carboxylate
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