5579-43-1
5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL
Name5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL
1Identification
【Name】
5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL
【CAS】
【MDL】
MFCD08444214
【English Synonyms】
【Formula】
C13 H20 N2 S
【MolWeight】
236.381
【Inchi】
InChI=1S/C13H20N2S/c16-12-14-11-7-3-2-6-10(11)13(15-12)8-4-1-5-9-13/h1-9H2,(H2,14,15,16)
【InChIKey】
InChIKey=BNFUEZMEJGCGKN-UHFFFAOYSA-N
【SMILES】
C1CCC2(CC1)C3=C(CCCC3)N=C(N2)S
【MOL File】
5',6',7',8'-TETRAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5',6',7',8'-TETRAHYDRO-3'H-SPIRO[CYCLOHEXANE-1,4'-QUINAZOLINE]-2'-THIOL.cml