Home Aminos 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:
305336-66-7
Catalog Number:
AG01A3ET
Molecular Formula:
C11H12N4O3S
Molecular Weight:
280.3030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A3ET
Chemical Name:
2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
CAS Number:
305336-66-7
Molecular Formula:
C11H12N4O3S
Molecular Weight:
280.3030
MDL Number:
MFCD01166520
IUPAC Name:
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C11H12N4O3S/c1-18-8-4-2-7(3-5-8)10-13-14-11(15(10)12)19-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)
InChI Key:
VGSUDIOIUWNJCU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1N)SCC(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.063g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.302g/mol
Monoisotopic Mass:
280.063g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties