462066-86-0
(5-CYCLOHEXYL-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL-SULFANYL)ACETIC ACID
Name(5-CYCLOHEXYL-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL-SULFANYL)ACETIC ACID
1Identification
【Name】
(5-CYCLOHEXYL-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL-SULFANYL)ACETIC ACID
【CAS】
【MDL】
MFCD02588700
【English Synonyms】
【Formula】
C11 H17 N3 O2 S
【MolWeight】
255.34
【Inchi】
InChI=1S/C11H17N3O2S/c1-14-10(8-5-3-2-4-6-8)12-13-11(14)17-7-9(15)16/h8H,2-7H2,1H3,(H,15,16)
【InChIKey】
InChIKey=BNHIXPXOCQCHTR-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCC(=O)O)C2CCCCC2
【MOL File】
(5-CYCLOHEXYL-4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-CYCLOHEXYL-4-METHYL-4H-[1,2,4]TRIAZOL-3-YL-SULFANYL)ACETIC ACID.cml