AKOS B018304 5mg

CAT: 0628-A18719-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A18719-5Size:5 mg

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CAS Number

6308-22-1

Chemical Information

Akos B018304

CAS Number	6308-22-1
PubChem CID	1380748
IUPAC Name	(5E)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular Formula	C10H6N2O3S2
Molecular Weight	266.3
XLogP	2.6
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	403

SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H,11,13,16)/b8-5+

InChIKey

CTTRUEBEEFZQBL-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 6308-22-1

CID: 1380748

Formula: C10H6N2O3S2

MW: 266.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.3
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	265.98198440
Monoisotopic Mass	265.98198440
Topological Polar Surface Area	132 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3609912-01	AKOS B018304
7135/50	AKOS 022
GTR19257421-01	AKOS B029051
561047	AKOS-22
T5971-01	AKOS BC-0705
D3727-66	2-[ (Diphenylmethyl) thio]acetic Acid ((Benzhydrylthio) acetic Acid, Benzhydrylsulfanyl-acetic Acid, AKOS BC-1797)
MBS6099464-01	2-[(Diphenylmethyl)thio]acetic Acid ((Benzhydrylthio)acetic Acid, Benzhydrylsulfanyl-acetic Acid, AKOS BC-1797)
B2860-10	6-Bromoisatin (6-Bromo-1H-indole-2,3-dione, 6-Bromoindole-2,3-dione, 6-Bromo Isatinic Anhydride, AKOS B018432)