Dimethyl Thionine Chloride

CAT: 1596-AR-M04511-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04511-01Size:10 Units

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CAS Number

34185-21-2

Synonyms

3,7-bis (methylamino) phenothiazin-5-ium, chloride (1:1)

Molecular Formula

C14H14N3S. Cl

Molecular Weight

256.35 35.45

API Name

Methylene blue

Chemical Information

3,7-Bis(methylamino)phenothiazin-5-ium chloride

CAS Number	34185-21-2
PubChem CID	135824755
IUPAC Name	N-methyl-7-methyliminophenothiazin-10-ium-3-amine chloride
Molecular Formula	C14H14ClN3S
Molecular Weight	291.8
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	462

SMILES

CNC1=CC2=C(C=C1)[NH+]=C3C=CC(=NC)C=C3S2.[Cl-]

InChI

InChI=1S/C14H13N3S.ClH/c1-15-9-3-5-11-13(7-9)18-14-8-10(16-2)4-6-12(14)17-11;/h3-8,15H,1-2H3;1H

InChIKey

OGTRWHSHINGWEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34185-21-2

CID: 135824755

Formula: C14H14ClN3S

MW: 291.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	291.0596963
Monoisotopic Mass	291.0596963
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	462
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-T01824-01	Thiamine Monophosphate Chloride
AR-T03328-01	Thiamine Pyrophosphate Chloride
AR-P28758-01	Thiamine Monophosphate Chloride Dihydrate
AR-T01818-01	Thiamine EP Impurity B Chloride HCl
AR-M04946-01	Mivacurium Chloride Impurity 4 Chloride
AR-M04944-01	Mivacurium Chloride Impurity 2 Chloride
AR-M04945-01	Mivacurium Chloride Impurity 3 Chloride
AR-M04968-01	Mivacurium Chloride Impurity 1 Chloride
AR-V01052-01	4-Chlorovaleroyl Chloride (4-Chloropentanoyl Chloride)
AR-J01006-01	Jatrorrhizine Chloride

Catalog	Name
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