37539-03-0
7-AMINO-3-(1,2,3-TRIAZOL-4-YLTHIO)METHYL CEPHALOSPORANIC ACID
Name
7-AMINO-3-(1,2,3-TRIAZOL-4-YLTHIO)METHYL CEPHALOSPORANIC ACID
Formula
C10 H11 N5 O3 S2
MolWeight
313.361
1Identification
【Name】
7-AMINO-3-(1,2,3-TRIAZOL-4-YLTHIO)METHYL CEPHALOSPORANIC ACID
【CAS】
【MDL】
MFCD08458208
【English Synonyms】
【Formula】
C10 H11 N5 O3 S2
【MolWeight】
313.361
【Inchi】
InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1
【InChIKey】
InChIKey=MLOZJRLUNNFSGD-HZGVNTEJSA-N
【SMILES】
c1c(nn[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-AMINO-3-(1,2,3-TRIAZOL-4-YLTHIO)METHYL CEPHALOSPORANIC ACID.cml
Quick Release
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