885272-27-5
6-(TETRAHYDRO-THIOPYRAN-4-YL)-1H-INDAZOLE
Name6-(TETRAHYDRO-THIOPYRAN-4-YL)-1H-INDAZOLE
1Identification
【Name】
6-(TETRAHYDRO-THIOPYRAN-4-YL)-1H-INDAZOLE
【CAS】
【MDL】
MFCD04114671
【English Synonyms】
【Formula】
C12 H14 N2 S
【MolWeight】
218.323
【Inchi】
InChI=1S/C12H14N2S/c1-2-11-8-13-14-12(11)7-10(1)9-3-5-15-6-4-9/h1-2,7-9H,3-6H2,(H,13,14)
【InChIKey】
InChIKey=XTRMWPYVRYFENB-UHFFFAOYSA-N
【SMILES】
c1cc2cn[nH]c2cc1C3CCSCC3
【MOL File】
6-(TETRAHYDRO-THIOPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(TETRAHYDRO-THIOPYRAN-4-YL)-1H-INDAZOLE.cml