propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Methylammonium acetate · Liquid MAAc · Methanamine Acetate · Aminomethane Acetate · propan-2-yl 4-methyl-8-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylsulfanylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate

https://huagongshe.com/en/chemical/5259270

propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.	6998-30-7
Molecular formula	C38H36N4O4S2
Average molar mass	676.8 g/mol
Monoisotopic mass	676.21779799 g/mol
SMILES	C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3n(c2=O)C(c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1C
InChIKey	QILUFVJSEAEPCY-UHFFFAOYSA-N
PubChem CID	5259270
DTXSID	DTXSID60413874

Chemical & Physical Properties

XLogP	8
Topological polar surface area	137
Hydrogen bond donors	0
Hydrogen bond acceptors	8
Rotatable bonds	11
Heavy atoms	48
Formal charge	0
Complexity	1,290
Melting point	75 °C
Boiling point	53 °C/3 mmHg
Physical state	powder to crystal
Color	White to Almost white
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Customs code	2921.11.0000

Safety & Regulations

Customs code	2921.11.0000
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313