329698-61-5
ETHYL 2-[(5-([2-(1,4-THIAZINAN-4-YL)ACETYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
NameETHYL 2-[(5-([2-(1,4-THIAZINAN-4-YL)ACETYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
1Identification
【Name】
ETHYL 2-[(5-([2-(1,4-THIAZINAN-4-YL)ACETYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE
【CAS】
【MDL】
MFCD02169701
【English Synonyms】
【Formula】
C12 H18 N4 O3 S3
【MolWeight】
362.497
【Inchi】
InChI=1S/C12H18N4O3S3/c1-2-19-10(18)8-21-12-15-14-11(22-12)13-9(17)7-16-3-5-20-6-4-16/h2-8H2,1H3,(H,13,14,17)
【InChIKey】
InChIKey=KSYVFBZNOYTXLW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CSc1nnc(s1)NC(=O)CN2CCSCC2
【MOL File】
ETHYL 2-[(5-([2-(1,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(5-([2-(1,4-THIAZINAN-4-YL)ACETYL]AMINO)-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETATE.cml