554411-24-4
[2-METHOXY-5-(TETRAHYDROPYRAN-4-YL)-PHENYL]THIOUREA
Name[2-METHOXY-5-(TETRAHYDROPYRAN-4-YL)-PHENYL]THIOUREA
1Identification
【Name】
[2-METHOXY-5-(TETRAHYDROPYRAN-4-YL)-PHENYL]THIOUREA
【CAS】
【MDL】
MFCD20484093
【English Synonyms】
【Formula】
C13 H18 N2 O2 S
【MolWeight】
266.363
【Inchi】
InChI=1S/C13H18N2O2S/c1-16-12-3-2-10(8-11(12)15-13(14)18)9-4-6-17-7-5-9/h2-3,8-9H,4-7H2,1H3,(H3,14,15,18)
【InChIKey】
InChIKey=JSAPXONNKFROSW-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1NC(=S)N)C2CCOCC2
【MOL File】
[2-METHOXY-5-(TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[2-METHOXY-5-(TETRAHYDROPYRAN-4-YL)-PHENYL]THIOUREA.cml