Home Other Building Blocks 4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol

4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
75028-28-3
Catalog Number:
AG019IS1
Molecular Formula:
C6H11N3OS
Molecular Weight:
173.2360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019IS1
Chemical Name:
4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
75028-28-3
Molecular Formula:
C6H11N3OS
Molecular Weight:
173.2360
MDL Number:
MFCD06654964
IUPAC Name:
4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C6H11N3OS/c1-10-4-2-3-9-5-7-8-6(9)11/h5H,2-4H2,1H3,(H,8,11)
InChI Key:
ZVMQINHTYQKDLV-UHFFFAOYSA-N
SMILES:
COCCCn1cnnc1S
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.062g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.234g/mol
Monoisotopic Mass:
173.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties