10- (4-Bromophenyl) phenothiazine

CAT: 0127-OR1043013-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1043013-01Size:100 mg

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CAS Number

63524-03-8

Purity

99%

Smiles

Brc1ccc(cc1)N1c2ccccc2Sc2c1cccc2

Chemical Information

10-(4-bromophenyl)-10H-phenothiazine

CAS Number	63524-03-8
PubChem CID	638545
IUPAC Name	10-(4-bromophenyl)phenothiazine
Molecular Formula	C18H12BrNS
Molecular Weight	354.3
XLogP	6
Topological Polar Surface Area	28.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	333

SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H12BrNS/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H

InChIKey

KOLVTMISRQOMPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63524-03-8

CID: 638545

Formula: C18H12BrNS

MW: 354.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.3
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	352.98738
Monoisotopic Mass	352.98738
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	333
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
OR1062068-01	10- (4-Bromophenyl) -10H-phenothiazine 5,5-dioxide
OR1067912-01	3,7-Dibromo-10- (4-bromophenyl) -10H-phenothiazine
OR1078899-01	10- (4-Methoxyphenyl) -10H-phenothiazine
OR1063489-01	10-Allyl-10H-phenothiazine
OR90928-01	10-Phenyl-10H-phenothiazine
OR27695	10- (triisopropylsilyl) -10H-phenothiazine
OR52348-01	9- (4-Bromophenyl) -10-phenylanthracene
OR1068685-01	10- (4-Bromophenyl) -10H-phenoxazine
OR1059484-01	10- (4-Chlorophenyl) -10H-phenothiazine 5,5-dioxide
PC1005387-01	10- (4-Fluorophenyl) -10H-phenothiazine 5,5-dioxide

Catalog	Name
TRC-T876730-250MG	4-(Trifluoromethyl)-phenothiazine
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411585-01	10- (4-Methoxyphenyl) -10H-phenothiazine
TRC-M264955-5G	10-(4-Methoxyphenyl)-10H-phenothiazine
TNU0675-01	3- (4'-Carboxyphenyl) imino-3H-phenothiazine
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TRC-C428860-1MG	4-Chloro-10-[(dimethylamino)propyl]phenothiazine Hydrochloride
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