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5591-45-7

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Basic Information
CAS No.: 5591-45-7
Name: CIS-THIOTHIXENE
Article Data: 5
Molecular Structure:
Molecular Structure of 5591-45-7 (CIS-THIOTHIXENE)
Formula: C23H29 N3 O2 S2
Molecular Weight: 443.634
Synonyms: Thioxanthene-2-sulfonamide,N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]- (7CI,8CI);2-(Dimethylsulfamoyl)-[9-(4-methyl-1-piperazinyl)propylidene]thioxanthene; CP12252-1;N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide;NSC 108165; Navan; Navane; Navaron; Orbinamon; P 4657B
Density: 1.269g/cm3
Melting Point: 114-118oC
Boiling Point: 599°Cat760mmHg
Flash Point: 316.1°C
Safety: Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. Human systemic effects hallucinations, distorted perceptions. When heated to decomposition it emits very toxic fumes of SOx and NOx.
PSA: 77.54000
LogP: 4.42730
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Chemistry

Product Name: Cis-thiothixene   
CAS: 5591-45-7
The Molecular formula of Cis-thiothixene (CAS NO5591-45-7): C23H29N3O2S2
The Molecular Weight of Cis-thiothixene (CAS NO5591-45-7): 443.62526
The Molecular Structure of Cis-thiothixene (CAS NO5591-45-7):

Density: 1.269 g/cm3 
Flash Point: 316.1 °C
Boiling Point: 599 °C at 760 mmHg  
Index of Refraction: 1.643 
Molar Refractivity: 126.45 cm3 
Molar Volume: 349.3 cm3 
Polarizability: 50.13×10-24cm3 
Surface Tension: 54.3 dyne/cm 
Enthalpy of Vaporization: 89.19 kJ/mol 
Vapour Pressure: 2.62E-14 mmHg at 25°C

Toxicity Data With Reference

1.    

orl-man TDLo:3 mg/kg (male 1W pre):REP

     JCLPDE    Journal of Clinical Psychiatry. 48 (1987),216.
2.    

orl-mus TDLo:180 mg/kg (female 7-12D post):TER

     OYYAA2    Oyo Yakuri. Pharmacometrics. 3 (1969),315.
3.    

orl-wmn TDLo:300 µg/kg/2D-I:BAH

     JCLPDE    Journal of Clinical Psychiatry. 44 (1983),77.
4.    

orl-rat LD50:720 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),455.
5.    

scu-rat LD50:2 g/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 3 (1969),709.
6.    

orl-mus LD50:400 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),455.
7.    

scu-mus LD50:4 g/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 3 (1969),709.

Safety Profile

Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. Human systemic effects hallucinations, distorted perceptions. When heated to decomposition it emits very toxic fumes of SOx and NOx.

Specification

  Cis-thiothixene with CAS number of 5591-45-7 is also known as 2-(Dimethylsulfamoyl)-(9-(4-methyl-1-piperazinyl)propylidene)thioxanthene ; 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)- ; 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (Z)- ; CP-12,252-1 ; CP-12,252-1 base ; EINECS 227-001-0 ; HSDB 3402 ; N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide ; NSC 108165 ; Navane ; Navaron ; Orbinamon ; P 4657B ; P-4657 B ; P-4657-B ; Thiothixene ; Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)- ; Tiotixene .