793678-88-3
5-MERCAPTO-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-OL
Name5-MERCAPTO-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-OL
1Identification
【Name】
5-MERCAPTO-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-OL
【CAS】
【MDL】
MFCD06655231
【English Synonyms】
【Formula】
C7 H11 N3 O2 S
【MolWeight】
201.249
【Inchi】
InChI=1S/C7H11N3O2S/c11-6-8-9-7(13)10(6)4-5-2-1-3-12-5/h5H,1-4H2,(H,8,11)(H,9,13)
【InChIKey】
InChIKey=PBTHQDCNQOQKNN-UHFFFAOYSA-N
【SMILES】
C1CC(OC1)Cn2c(nnc2S)O
【MOL File】
5-MERCAPTO-4-(TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-MERCAPTO-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-OL.cml