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N-Allylphenothiazine

CAT: 0572-TRC-A572200-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A572200-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20962-92-9
Synonyms
10-Allyl-10H-phenothiazine; 10-(2-Propen-1-yl)-10H-phenothiazine
Hazard Statement
No Data Available; UN number: UN3082; Packing Group: III
Smiles
C=CCN1c2ccccc2Sc3ccccc13
Molecular Formula
C15H13NS
Molecular Weight
239.34
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Allylphenothiazine
CAS Number20962-92-9
PubChem CID11680298
IUPAC Name10-prop-2-enylphenothiazine
Molecular FormulaC15H13NS
Molecular Weight239.3
XLogP4.8
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity256
SMILES
C=CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C15H13NS/c1-2-11-16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16/h2-10H,1,11H2
InChIKey
GFVSLJXVNAYUJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Allylphenothiazine
CAS: 20962-92-9
CID: 11680298
Formula: C15H13NS
MW: 239.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.3
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass239.07687059
Monoisotopic Mass239.07687059
Topological Polar Surface Area28.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity256
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

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