874663-21-5
SPIRO[5H-[1]BENZOPYRANO[4,3-D]PYRIMIDINE-5,1'-CYCLOHEXANE]-2(1H)-THIONE
NameSPIRO[5H-[1]BENZOPYRANO[4,3-D]PYRIMIDINE-5,1'-CYCLOHEXANE]-2(1H)-THIONE
1Identification
【Name】
SPIRO[5H-[1]BENZOPYRANO[4,3-D]PYRIMIDINE-5,1'-CYCLOHEXANE]-2(1H)-THIONE
【CAS】
【MDL】
MFCD15071813
【English Synonyms】
【Formula】
C16 H16 N2 O S
【MolWeight】
284.381
【Inchi】
InChI=1S/C16H16N2OS/c20-15-17-10-12-14(18-15)11-6-2-3-7-13(11)19-16(12)8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18,20)
【InChIKey】
InChIKey=AKSAOGODZLOMOA-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)-c3c(cnc(=S)[nH]3)C4(O2)CCCCC4
【MOL File】
SPIRO[5H-[1]BENZOPYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SPIRO[5H-[1]BENZOPYRANO[4,3-D]PYRIMIDINE-5,1'-CYCLOHEXANE]-2(1H)-THIONE.cml