50290-39-6
METHYL 2-OXO-2H-PYRIMIDO(2,1-B)(1,3)BENZOTHIAZOLE-4-CARBOXYLATE
NameMETHYL 2-OXO-2H-PYRIMIDO(2,1-B)(1,3)BENZOTHIAZOLE-4-CARBOXYLATE
1Identification
【Name】
METHYL 2-OXO-2H-PYRIMIDO(2,1-B)(1,3)BENZOTHIAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD03488060
【English Synonyms】
【Formula】
C12 H8 N2 O3 S
【MolWeight】
260.272
【Inchi】
InChI=1S/C12H8N2O3S/c1-17-11(16)8-6-10(15)13-12-14(8)7-4-2-3-5-9(7)18-12/h2-6H,1H3
【InChIKey】
InChIKey=PMMSVWGUTOEEIB-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc(=O)nc2n1c3ccccc3s2
【MOL File】
METHYL 2-OXO-2H-PYRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-OXO-2H-PYRIMIDO(2,1-B)(1,3)BENZOTHIAZOLE-4-CARBOXYLATE.cml