135718-67-1
3-AMINO-4-PHENYL-2-METHYLMERCAPTO-3,4,5,6,7,8-HEXAHYDROBENZO(4,5)THIEN O(2,3-D)PYRIMIDINE HI
Name3-AMINO-4-PHENYL-2-METHYLMERCAPTO-3,4,5,6,7,8-HEXAHYDROBENZO(4,5)THIEN O(2,3-D)PYRIMIDINE HI
FormulaC17 H19 N3 S2 . H I
1Identification
【Name】
3-AMINO-4-PHENYL-2-METHYLMERCAPTO-3,4,5,6,7,8-HEXAHYDROBENZO(4,5)THIEN O(2,3-D)PYRIMIDINE HI
【CAS】
【MDL】
MFCD01663375
【English Synonyms】
【Formula】
C17 H19 N3 S2 . H I
【MolWeight】
457.398
【Inchi】
InChI=1S/C17H19N3S2.HI/c1-21-17-19-16-14(12-9-5-6-10-13(12)22-16)15(20(17)18)11-7-3-2-4-8-11;/h2-4,7-8,15H,5-6,9-10,18H2,1H3;1H
【InChIKey】
InChIKey=HFNBFWNVVBUGBH-UHFFFAOYSA-N
【SMILES】
CSC1=Nc2c(c3c(s2)CCCC3)C(N1N)c4ccccc4.I
【MOL File】
3-AMINO-4-PHENYL-2-M….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
3-AMINO-4-PHENYL-2-METHYLMERCAPTO-3,4,5,6,7,8-HEXAHYDROBENZO(4,5)THIEN O(2,3-D)PYRIMIDINE HI.cml