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113-59-7

113-59-7 structural image
Product Name: Chlorprothixene
Formula: C18H18ClNS
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Pale yellow crystals.
Odor SLIGHT AMINE-LIKE ODOR
Melting Point 153-154
Solubility 14 [ug/mL] (The mean of the results at pH 7.4)
LogP 5.18
Stability/Shelf Life SENSITIVE TO LIGHT & AIR
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride, sulfur oxide, and nitrogen oxide/.
Collision Cross Section 169.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated]
Other Experimental Properties Incompatible with acids, alkalies, phenobarbital, thiopental sodium, mepazine.

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H336:Specific target organ toxicity,single exposure; Narcotic effects

COMPUTED DESCRIPTORS

Molecular Weight 315.9 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 315.0848484 g/mol
Monoisotopic Mass 315.0848484 g/mol
Topological Polar Surface Area 28.5 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 381
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(Z)-chlorprothixene is a chlorprothixene in which the double bond adopts a (Z)-configuration. It is an enantiomer of an (E)-chlorprothixene.