Thiothixene
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Product Description
Product
Thiothixene
CAS
22189-31-7
Formula
C23H29N3O2S2.2ClH.2H2O
Synonym
Thiothixene hydrochloride; Thiothixene hydrochloride intensol; UNII-B3CRJ1EWJU; 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate (Z)-; Cl-H; COMPONENT; CP 12252-1; CP-12,252-1; FDA UNII B3CRJ1EWJU; H2-O; Molecular Formula Fragments C23-H29-N3-O2-S2; Molecular Formulas ?Molecular Formula C23-H29-N3-O2-S2.2Cl-H.2H2-O; N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide dihydrochloride dihydrate; Navane; Navane Hydrochloride; Other Registry Number 49746-09-0; Registry Numbers CAS Registry Number 22189-31-7; System Generated Number 0022189317; Systematic Name 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate
Typical Product Specifications
SMILES
CN1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C.O.O.Cl.Cl
InChI
MEUAAEMCZUPORO-LRSHZYOCSA-N
InChIKey
1S/C23H29N3O2S2.2ClH.2H2O/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;;;/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1H;2*1H2/b19-8-;;;;
log P (octanol-water)
3.78
Atmospheric OH Rate Constant
2.92E-10 cm3/molecule-sec
Henry's Law Constant
3.70E-16 atm-m3/mole
Vapor Pressure
2.56E-12 mm Hg
Water solubility
0.764 mg/L
Class
Thiothixene
Product Description
Product
Thiothixene
CAS
22189-31-7
Formula
C23H29N3O2S2.2ClH.2H2O
Synonym
Thiothixene hydrochloride; Thiothixene hydrochloride intensol; UNII-B3CRJ1EWJU; 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate (Z)-; Cl-H; COMPONENT; CP 12252-1; CP-12,252-1; FDA UNII B3CRJ1EWJU; H2-O; Molecular Formula Fragments C23-H29-N3-O2-S2; Molecular Formulas ?Molecular Formula C23-H29-N3-O2-S2.2Cl-H.2H2-O; N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide dihydrochloride dihydrate; Navane; Navane Hydrochloride; Other Registry Number 49746-09-0; Registry Numbers CAS Registry Number 22189-31-7; System Generated Number 0022189317; Systematic Name 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate
Typical Product Specifications
SMILES
CN1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C.O.O.Cl.Cl
InChI
MEUAAEMCZUPORO-LRSHZYOCSA-N
InChIKey
1S/C23H29N3O2S2.2ClH.2H2O/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;;;/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1H;2*1H2/b19-8-;;;;
log P (octanol-water)
3.78
Atmospheric OH Rate Constant
2.92E-10 cm3/molecule-sec
Henry's Law Constant
3.70E-16 atm-m3/mole
Vapor Pressure
2.56E-12 mm Hg
Water solubility
0.764 mg/L
Class
