5964-62-5
DIATHYMOSULFONE
Name
DIATHYMOSULFONE
Formula
C32 H34 N4 O4 S
MolWeight
570.711
1Identification
【Name】
DIATHYMOSULFONE
【CAS】
【MDL】
MFCD00866228
【English Synonyms】
【Formula】
C32 H34 N4 O4 S
【MolWeight】
570.711
【Inchi】
InChI=1S/C32H34N4O4S/c1-19(2)27-17-29(21(5)15-31(27)37)35-33-23-7-11-25(12-8-23)41(39,40)26-13-9-24(10-14-26)34-36-30-18-28(20(3)4)32(38)16-22(30)6/h7-20,37-38H,1-6H3/b35-33+,36-34+
【InChIKey】
InChIKey=KHFUQWURHSKTPO-LBYUQGKWSA-N
【SMILES】
Cc1cc(c(cc1/N=N/c2ccc(cc2)S(=O)(=O)c3ccc(cc3)/N=N/c4cc(c(cc4C)O)C(C)C)C(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIATHYMOSULFONE.cml
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