Displurigen

CAT: 0926-WDA15626-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-WDA15626-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

96156-26-2

Smiles

C1=CC=C (C=C1) C2=CC (=O) C3=C (S2 (=O) =O) C (=CC=C3) O

Molecular Formula

C15H10O4S

Molecular Weight

286.3 g/mol

Controlled

Chemical Information

8-Hydroxy-2-phenyl-4H-1-benzothiopyran-4-one-1,1-dioxide

CAS Number	96156-26-2
PubChem CID	341768
IUPAC Name	8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one
Molecular Formula	C15H10O4S
Molecular Weight	286.3
XLogP	2.1
Topological Polar Surface Area	79.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	523

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(S2(=O)=O)C(=CC=C3)O

InChI

InChI=1S/C15H10O4S/c16-12-8-4-7-11-13(17)9-14(20(18,19)15(11)12)10-5-2-1-3-6-10/h1-9,16H

InChIKey

BOHKBSYMCUBXPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96156-26-2

CID: 341768

Formula: C15H10O4S

MW: 286.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.3
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	286.02997997
Monoisotopic Mass	286.02997997
Topological Polar Surface Area	79.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	523
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

Catalog	Name
T27184-01	Displurigen