Methylene Blue Hydrate For Microscopy

CAT: 1442-113820 25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1442-113820 25Size:25 mg

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CAS Number

122965-43-9

Molecular Formula

C16H18ClN3S · xH2O

Molecular Weight

319.85

HSN Code

32041351

Chemical Information

(7-(Dimethylamino)phenothiazin-3-ylidene)-dimethylazanium;chloride;hydrate

CAS Number	122965-43-9
PubChem CID	16211647
IUPAC Name	[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;hydrate
Molecular Formula	C16H20ClN3OS
Molecular Weight	337.9
Topological Polar Surface Area	44.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	483

SMILES

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.[Cl-]

InChI

InChI=1S/C16H18N3S.ClH.H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10H,1-4H3;1H;1H2/q+1;;/p-1

InChIKey

WQVSELLRAGBDLX-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 122965-43-9

CID: 16211647

Formula: C16H20ClN3OS

MW: 337.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	337.1015611
Monoisotopic Mass	337.1015611
Topological Polar Surface Area	44.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	483
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	3
Compound Is Canonicalized	Yes

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