531536-55-7
[(1-CYCLOPENTYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID
Name[(1-CYCLOPENTYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID
1Identification
【Name】
[(1-CYCLOPENTYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID
【CAS】
【MDL】
MFCD03566949
【English Synonyms】
【Formula】
C8 H12 N4 O2 S
【MolWeight】
228.275
【Inchi】
InChI=1S/C8H12N4O2S/c13-7(14)5-15-8-9-10-11-12(8)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
【InChIKey】
InChIKey=QPWCCVDBCKPKPV-UHFFFAOYSA-N
【SMILES】
C1CCC(C1)n2c(nnn2)SCC(=O)O
【MOL File】
[(1-CYCLOPENTYL-1H-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[(1-CYCLOPENTYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID.cml