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10H-Phenothiazine

CAT: 0127-OR17816-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0127-OR17816-01Size:250 g
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CAS Number
92-84-2
Synonyms
10H-Dibenzo[b, e][1,4]thiazine, Thiodiphenylamine, Dibenzothiazine
MDL Number
MFCD00005015
Purity
99%
Smiles
N1c2ccccc2Sc3ccccc13
Storage Conditions
Store at 2-8°C

Chemical Information

Phenothiazine

10H-phenothiazine is the 10H-tautomer of phenothiazine. It has a role as a ferroptosis inhibitor, a radical scavenger and a plant metabolite. It is a tautomer of a 4aH-phenothiazine, a 1H-phenothiazine and a 3H-phenothiazine.

CAS Number92-84-2
PubChem CID7108
IUPAC Name10H-phenothiazine
Molecular FormulaC12H9NS
Molecular Weight199.27
XLogP4.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2
InChI
InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey
WJFKNYWRSNBZNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenothiazine
CAS: 92-84-2
CID: 7108
Formula: C12H9NS
MW: 199.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.27
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass199.04557046
Monoisotopic Mass199.04557046
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
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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