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2-Chlorophenothiazine

CAT: 0804-HY-Y1749-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1749-01Size:50 g
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Description
2-Chlorophenothiazine is a phenothiazine derivative. 2-Chlorophenothiazine has the activity of inhibiting DNA, RNA and protein synthesis. 2-Chlorophenothiazine is an intermediate in the synthesis of Chlorpromazine and Perphenazine (HY-A0077).
CAS Number
92-39-7
UNSPSC
12352005
Hazard Statement
H317
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.87
Smiles
ClC(C=C1N2)=CC=C1SC3=C2C=CC=C3
Molecular Formula
C12H8ClNS
Molecular Weight
233.72
Precautions
H317
References & Citations
[1]Khafagy EZ, et al. New aspects concerning the mechanism of action of tranquilizers. The influence of some tranquilizers on protein and nucleic acid syntheses. Biochem Pharmacol. 1977 Jul 1;26 (13) :1205-11.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Chlorophenothiazine
CAS Number92-39-7
PubChem CID7088
IUPAC Name2-chloro-10H-phenothiazine
Molecular FormulaC12H8ClNS
Molecular Weight233.72
XLogP4.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity236
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKey
KFZGLJSYQXZIGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorophenothiazine
CAS: 92-39-7
CID: 7088
Formula: C12H8ClNS
MW: 233.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.72
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass233.0065981
Monoisotopic Mass233.0065981
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes