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2-Propionyl Phenothiazine

CAT: 0572-TRC-P811250-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P811250-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92-33-1
Synonyms
1-(10H-Phenothiazin-2-yl)-1-propanone; 1-Phenothiazin-2-yl-1-propanone;
Hazard Statement
Harmful if swallowed.
Smiles
CCC(=O)c1ccc2Sc3ccccc3Nc2c1
Molecular Formula
C15H13NOS
Molecular Weight
255.33
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Propionylphenothiazine
CAS Number92-33-1
PubChem CID66705
IUPAC Name1-(10H-phenothiazin-2-yl)propan-1-one
Molecular FormulaC15H13NOS
Molecular Weight255.3
XLogP4.3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity320
SMILES
CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C15H13NOS/c1-2-13(17)10-7-8-15-12(9-10)16-11-5-3-4-6-14(11)18-15/h3-9,16H,2H2,1H3
InChIKey
XPGPHJNCOZQFAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propionylphenothiazine
CAS: 92-33-1
CID: 66705
Formula: C15H13NOS
MW: 255.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass255.07178521
Monoisotopic Mass255.07178521
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity320
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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