1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)

Base Information

• Chemical Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)
• CAS No.: 41932-06-3
• Molecular Formula: C22H28 N2 O2 S2 . 2 Cl H
• Molecular Weight: 489.5218
• DSSTox Substance ID: DTXSID80962071

Synonyms:41932-06-3;1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1);DTXSID80962071;C22H28N2O2S2.2ClH.H2O;LS-113340;C22-H28-N2-O2-S2.2Cl-H.H2-O;3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}propan-1-ol--hydrogen chloride (1/2)

Chemical Property of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 488.1125759
• Heavy Atom Count: 30
• Complexity: 501

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-].Cl.Cl

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