725222-03-7
2-CYANO-N-(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)ACETAMIDE
Name2-CYANO-N-(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)ACETAMIDE
1Identification
【Name】
2-CYANO-N-(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)ACETAMIDE
【CAS】
【MDL】
MFCD04141307
【English Synonyms】
【Formula】
C14 H15 N3 O S
【MolWeight】
273.358
【Inchi】
InChI=1S/C14H15N3OS/c15-8-7-13(18)17-14-11(9-16)10-5-3-1-2-4-6-12(10)19-14/h1-7H2,(H,17,18)
【InChIKey】
InChIKey=HMCFNHOXJSZPFL-UHFFFAOYSA-N
【SMILES】
C1CCCc2c(c(c(s2)NC(=O)CC#N)C#N)CC1
【MOL File】
2-CYANO-N-(3-CYANO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CYANO-N-(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)ACETAMIDE.cml