2-Trifloromethylphenothiazine

CAT: 1596-AR-F10472-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10472-01Size:10 Units

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CAS Number

92-30-8

Synonyms

2- (trifluoromethyl) -10H-phenothiazine

Molecular Formula

C13H8F3NS

Molecular Weight

267.27

API Name

Fluphenazine

Chemical Information

2-(trifluoromethyl)-10H-phenothiazine

2-(trifluoromethyl)-10H-phenothiazine is a member of phenothiazines.

CAS Number	92-30-8
PubChem CID	7082
IUPAC Name	2-(trifluoromethyl)-10H-phenothiazine
Molecular Formula	C13H8F3NS
Molecular Weight	267.27
XLogP	5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	307

SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H

InChIKey

RKGYJVASTMCSHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92-30-8

CID: 7082

Formula: C13H8F3NS

MW: 267.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.27
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	267.03295492
Monoisotopic Mass	267.03295492
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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