80830-42-8
RENTIAPRIL
Name
RENTIAPRIL
Formula
C13 H15 N O4 S2
MolWeight
313.397
1Identification
【Name】
RENTIAPRIL
【CAS】
【MDL】
MFCD00868438
【English Synonyms】
【Formula】
C13 H15 N O4 S2
【MolWeight】
313.397
【Inchi】
InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1
【InChIKey】
InChIKey=BSHDUMDXSRLRBI-JOYOIKCWSA-N
【SMILES】
c1ccc(c(c1)[C@@H]2N([C@@H](CS2)C(=O)O)C(=O)CCS)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RENTIAPRIL.cml
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