SU5208

CAT: 0127-BUP08028-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08028-01Size:5 mg

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CAS Number

62540-08-3

Synonyms

3-[ (Thien-2-yl) methylene]-2-indolinone

Purity

=98%

Smiles

O=C1Nc2ccccc2\C1=C\c1cccs1

Chemical Information

3-[(Thien-2-yl)methylene]-2-indolinone

CAS Number	62540-08-3
PubChem CID	308717
IUPAC Name	3-(thiophen-2-ylmethylidene)-1H-indol-2-one
Molecular Formula	C13H9NOS
Molecular Weight	227.28
XLogP	2.6
Topological Polar Surface Area	57.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	326

SMILES

C1=CC=C2C(=C1)C(=CC3=CC=CS3)C(=O)N2

InChI

InChI=1S/C13H9NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-8H,(H,14,15)

InChIKey

QMTIIBUDOBNABZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62540-08-3

CID: 308717

Formula: C13H9NOS

MW: 227.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.28
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.04048508
Monoisotopic Mass	227.04048508
Topological Polar Surface Area	57.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3612823-01	SU5208