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LUH8

CAT: 0931-T34204-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34204-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3575-86-8
Target
Others
Related Pathways
Others
Bioactivity
Pyridinium, 1,1'- (thiodimethylene) bis (4-formyl-, dichloride, dioxime is a bioactive chemical.
Smiles
[Cl-].ON=Cc1cc[n+](CSC[n+]2ccc(C=NO)cc2)cc1 |w:2.0,16.15|
Molecular Formula
C14H16ClN4O2S
Molecular Weight
339.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyridinium, 1,1'-(thiodimethylene)bis[4-formyl-, dichloride, dioxime
CAS Number3575-86-8
PubChem CID135891761
IUPAC Name(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methylsulfanylmethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.3
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity306
SMILES
C1=C[N+](=CC=C1/C=N/O)CSC[N+]2=CC=C(C=C2)/C=N/O.[Cl-].[Cl-]
InChI
InChI=1S/C14H14N4O2S.2ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;;/h1-10H,11-12H2;2*1H
InChIKey
HXYZQULFTRYLCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridinium, 1,1'-(thiodimethylene)bis[4-formyl-, dichloride, dioxime
CAS: 3575-86-8
CID: 135891761
Formula: C14H16Cl2N4O2S
MW: 375.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass374.0371023
Monoisotopic Mass374.0371023
Topological Polar Surface Area98.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5783721LUH8

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