52494-15-2
ETHYL 2-[(5-ANILINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
NameETHYL 2-[(5-ANILINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
1Identification
【Name】
ETHYL 2-[(5-ANILINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
【CAS】
【MDL】
MFCD02985989
【English Synonyms】
【Formula】
C12 H13 N3 O2 S2
【MolWeight】
295.386
【Inchi】
InChI=1S/C12H13N3O2S2/c1-2-17-10(16)8-18-12-15-14-11(19-12)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
【InChIKey】
InChIKey=CLMLPSJEUWZDRN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1nnc(s1)Nc2ccccc2
【MOL File】
ETHYL 2-[(5-ANILINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(5-ANILINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE.cml