HC-056456 1mg

CAT: 0628-A19487-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A19487-1Size:1 mg

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

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CAS Number

7733-96-2

Chemical Information

HC-056456

CAS Number	7733-96-2
PubChem CID	573747
IUPAC Name	[5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone
Molecular Formula	C12H6N2O4S2
Molecular Weight	306.3
XLogP	3.4
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	409

SMILES

C1=CSC(=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H

InChIKey

RUQGCDMXFBOTMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7733-96-2

CID: 573747

Formula: C12H6N2O4S2

MW: 306.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.3
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	305.97689902
Monoisotopic Mass	305.97689902
Topological Polar Surface Area	142 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	409
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