Phenothiazine S, S-dioxide

CAT: 0926-BAA20966-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA20966-01Size:250 mg

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CAS Number

1209-66-1

MDL Number

MFCD00455447

Smiles

C1=CC=C2C (=C1) NC3=CC=CC=C3S2 (=O) =O

Molecular Formula

C12H9NO2S

Molecular Weight

231.27 g/mol

Controlled

Chemical Information

Phenothiazine 5,5-dioxide

CAS Number	1209-66-1
PubChem CID	71024
IUPAC Name	10H-phenothiazine 5,5-dioxide
Molecular Formula	C12H9NO2S
Molecular Weight	231.27
XLogP	2.3
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	332

SMILES

C1=CC=C2C(=C1)NC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H

InChIKey

ZAYUOSICZWFJSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1209-66-1

CID: 71024

Formula: C12H9NO2S

MW: 231.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.27
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	231.03539970
Monoisotopic Mass	231.03539970
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	332
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

Catalog	Name
BDA64691-01	6,6-Dibromopenicillanic acid S, S-dioxide
XWC60981-01	(S) -3- (Hydroxymethyl) thiomorpholine 1,1-dioxide hydrochloride
FT52329	2- (Trifluoromethyl) phenothiazine
FE36596-01	3- (Ethoxycarbonylamino) phenothiazine
BAA20771	Phenothiazine 5-oxide
FP26884-01	Phenothiazine-10-propionic acid
FC168663-01	Chromium dioxide
FS32557-01	Silicon dioxide
FE45179-01	Ethyl phenothiazine-2-carbamate
DAA93923	3-Bromo-10H-phenothiazine

Catalog	Name
TRC-P297600-100MG	Phenothiazine S,S-Dioxide
462394-01	Phenothiazine S, S-Dioxide
AR-P30095-01	Phenothiazine S, S-Dioxide Nitroso Impurity
AR-P03407-01	Acetyl Phenothiazine dioxide
OR1072860-01	10H-Phenothiazine 5,5-dioxide
017413	2- (Methylsulfonyl) phenothiazine 5,5-Dioxide
TRC-M326635-5MG	2-(Methylsulfonyl)phenothiazine 5,5-Dioxide
AR-P03405-01	Phenothiazine S-Oxide
AR-P03406-01	Acetyl Phenothiazine S-Oxide
OR1059484-01	10- (4-Chlorophenyl) -10H-phenothiazine 5,5-dioxide