9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, (Z)-

Base Information

• Chemical Name: 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, (Z)-
• CAS No.: 49746-04-5
• Deprecated CAS: 58513-59-0
• Molecular Formula: C23H29 N3 O2 S2 . 2 Cl H
• Molecular Weight: 516.54714
• European Community (EC) Number: 633-368-1
• UNII: 2P7AT1AU06
• DSSTox Substance ID: DTXSID30109999
• NCI Thesaurus Code: C47753
• Mol file: 49746-04-5.mol

Synonyms:Thiothixene Hydrochloride Anhydrous;UNII-2P7AT1AU06;2P7AT1AU06;49746-04-5;Thiothixene (hydrochloride);Thiothixene hydrochloride;Thiothixene dihydrochloride;9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, (Z)-;(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrochloride;58513-59-0;DTXSID30109999;HY-108324A;TIOTIXENE HYDROCHLORIDE [WHO-DD];THIOTHIXENE DIHYDROCHLORIDE ANHYDROUS;CS-0030982;Q27255368;9H-THIOXANTHENE-2-SULFONAMIDE, N,N-DIMETHYL-9-(3-(4-METHYL-1-PIPERAZINYL)PROPYLIDENE)-, DIHYDROCHLORIDE, (9Z)-

Chemical Property of 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, (Z)-

Chemical Property:

• PSA: 77.54000
• LogP: 6.03130
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 515.1234750
• Heavy Atom Count: 32
• Complexity: 711

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.Cl.Cl
• Isomeric SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.Cl.Cl