YM-1

CAT: 0607-BA4193-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4193-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

409086-68-6

Form

A solid

Molecular Formula

C20H20ClN3OS2

Molecular Weight

417.98

Shipping Conditions

Blue ice

Storage Conditions

Tightly sealed and desiccated at 4°C.

Chemical Information

PyridiniuM, 2-[[3-ethyl-5-(3-Methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]Methyl]-1-Methyl-, chloride (1:1)

CAS Number	409086-68-6
PubChem CID	118703534
IUPAC Name	3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride
Molecular Formula	C20H20ClN3OS2
Molecular Weight	418.0
Topological Polar Surface Area	78
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	633

SMILES

CCN1C(=CC2=CC=CC=[N+]2C)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]

InChI

InChI=1S/C20H20N3OS2.ClH/c1-4-23-17(13-14-9-7-8-12-21(14)2)26-18(19(23)24)20-22(3)15-10-5-6-11-16(15)25-20;/h5-13H,4H2,1-3H3;1H/q+1;/p-1

InChIKey

KEQDCNWQIQWINZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 409086-68-6

CID: 118703534

Formula: C20H20ClN3OS2

MW: 418.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	417.0736323
Monoisotopic Mass	417.0736323
Topological Polar Surface Area	78 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	633
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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