865305-41-5
5-(2-isopropyl-5-isothiocyanato-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
Name5-(2-isopropyl-5-isothiocyanato-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
1Identification
【Name】
5-(2-isopropyl-5-isothiocyanato-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H17N5O2S
【MolWeight】
331.393
【Inchi】
InChI=1S/C15H17N5O2S/c1-8(2)9-4-12(21-3)10(19-7-23)5-11(9)22-13-6-18-15(17)20-14(13)16/h4-6,8H,1-3H3,(H4,16,17,18,20)
【InChIKey】
InChIKey=OXWWOLODZXZAOL-UHFFFAOYSA-N
【SMILES】
C(C)(C)C1=C(OC=2C(=NC(=NC2)N)N)C=C(C(=C1)OC)N=C=S
【MOL File】
5-(2-isopropyl-5-iso….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-isopropyl-5-isothiocyanato-4-methoxy-phenoxy)-pyrimidine-2,4-diamine.cml