Avatrombopag Impurity 136

CAT: 1299-RM-A220236-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-A220236-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

114774-08-2

Synonyms

1- (5- (1- (methoxyimino) ethyl) thiophen-2-yl) ethan-1-one

Molecular Formula

C9H11NO2S

Molecular Weight

197.25

Target Alternative Name

Avatrombopag

Product Name Synonym

1- (5- (1- (methoxyimino) ethyl) thiophen-2-yl) ethan-1-one

Chemical Information

1-[5-(N-Methoxyethanimidoyl)thiophen-2-yl]ethan-1-one

CAS Number	114774-08-2
PubChem CID	53440862
IUPAC Name	1-[5-(N-methoxy-C-methylcarbonimidoyl)thiophen-2-yl]ethanone
Molecular Formula	C9H11NO2S
Molecular Weight	197.26
XLogP	2.2
Topological Polar Surface Area	66.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	228

SMILES

CC(=NOC)C1=CC=C(S1)C(=O)C

InChI

InChI=1S/C9H11NO2S/c1-6(10-12-3)8-4-5-9(13-8)7(2)11/h4-5H,1-3H3

InChIKey

SHKPOZGQJGJSRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 114774-08-2

CID: 53440862

Formula: C9H11NO2S

MW: 197.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.26
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	197.05104977
Monoisotopic Mass	197.05104977
Topological Polar Surface Area	66.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228
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