74822-82-5
1-ALLYL-3-(3,4,5-TRIMETHOXYBENZOYL)THIOUREA
Name1-ALLYL-3-(3,4,5-TRIMETHOXYBENZOYL)THIOUREA
1Identification
【Name】
1-ALLYL-3-(3,4,5-TRIMETHOXYBENZOYL)THIOUREA
【CAS】
【MDL】
MFCD05128087
【English Synonyms】
【Formula】
C14 H18 N2 O4 S
【MolWeight】
310.372
【Inchi】
InChI=1S/C14H18N2O4S/c1-5-6-15-14(21)16-13(17)9-7-10(18-2)12(20-4)11(8-9)19-3/h5,7-8H,1,6H2,2-4H3,(H2,15,16,17,21)
【InChIKey】
InChIKey=YILDTUDZNVLJPJ-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)NC(=S)NCC=C
【MOL File】
1-ALLYL-3-(3,4,5-TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ALLYL-3-(3,4,5-TRIMETHOXYBENZOYL)THIOUREA.cml