184951-86-8
BOC-THIONOALA-1-(6-NITRO)BENZOTRIAZOLIDE
Name
BOC-THIONOALA-1-(6-NITRO)BENZOTRIAZOLIDE
Formula
C14 H17 N5 O4 S
MolWeight
351.385
1Identification
【Name】
BOC-THIONOALA-1-(6-NITRO)BENZOTRIAZOLIDE
【CAS】
【MDL】
MFCD01318726
【English Synonyms】
【Formula】
C14 H17 N5 O4 S
【MolWeight】
351.385
【Inchi】
InChI=1S/C14H17N5O4S/c1-8(15-13(20)23-14(2,3)4)12(24)18-11-7-9(19(21)22)5-6-10(11)16-17-18/h5-8H,1-4H3,(H,15,20)/t8-/m0/s1
【InChIKey】
InChIKey=HTCDBMHTHFGBCZ-QMMMGPOBSA-N
【SMILES】
C[C@@H](C(=S)n1c2cc(ccc2nn1)[N+](=O)[O-])NC(=O)OC(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Chem-Impex International, Inc. :BOC-THIONOALA-1-(6-NITRO)BENZOTRIAZOLIDE
4CML File
BOC-THIONOALA-1-(6-NITRO)BENZOTRIAZOLIDE.cml
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