CAS No. 138564-59-7

Molecular Formula: C12H9N3O2S

Molecular Formula: C12H9N3O2S
Molecular Weight: 259.28
Hazard Symbols: N
UN Number: UN 3077 9 / PGIII
PackingGroup: III
HS Code: 2934990002

More details are to be found on supplier website

Description:
An impurity of Olanzapine, an antipsychotic indicated for the treatment of schizophrenia and bipolar disorder.

• Molecular Weight: 259.28
• Molecular Formula: C12H9N3O2S

Canonical SMILES:
CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N

InChI:
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3

InChIKey: NPXUFPFFHANGDL-UHFFFAOYSA-N

• Boiling Point: 425.4 °C / 760 mmHg
• Storage: Keep in dark place. Inert atmosphere. Room temperature.

Synonyms:
5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile; 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile; 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile; 3-Cyano-5-methyl-2-(2-nitroanilino)thiophene; Olanzapine Related Compound A

More details are to be found on supplier website

Smile code:
N#CC1=C(NC2=CC=CC=C2[N+]([O-])=O)SC(C)=C1
MDL Number:
MFCD06408054
Purity :
97%
Available in stock:
385 g