19950-80-2
4-(2-DIAETHYLAMINOAETHYLAMINOMETHYL)DIBENZOTHIOPHEN DI(HYDROGENMALEAT) [GERMAN]
Name
4-(2-DIAETHYLAMINOAETHYLAMINOMETHYL)DIBENZOTHIOPHEN DI(HYDROGENMALEAT) [GERMAN]
Formula
C19 H24 N2 S . 2 C4 H4 O4
MolWeight
544.622
1Identification
【Name】
4-(2-DIAETHYLAMINOAETHYLAMINOMETHYL)DIBENZOTHIOPHEN DI(HYDROGENMALEAT) [GERMAN]
【CAS】
【MDL】
MFCD01726843
【English Synonyms】
【Formula】
C19 H24 N2 S . 2 C4 H4 O4
【MolWeight】
544.622
【Inchi】
InChI=1S/C19H24N2S.2C4H4O4/c1-3-21(4-2)13-12-20-14-15-8-7-10-17-16-9-5-6-11-18(16)22-19(15)17;2*5-3(6)1-2-4(7)8/h5-11,20H,3-4,12-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
【InChIKey】
InChIKey=COMOKTVYJQIJLE-SPIKMXEPSA-N
【SMILES】
CCN(CC)CCNCc1cccc2c1sc3c2cccc3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F