sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol

4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol

CAS No.:
114252-51-6
Catalog Number:
AG019I32
Molecular Formula:
C5H9N3OS
Molecular Weight:
159.2095
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019I32
Chemical Name:
4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
CAS Number:
114252-51-6
Molecular Formula:
C5H9N3OS
Molecular Weight:
159.2095
MDL Number:
MFCD03984472
IUPAC Name:
4-propyl-5-sulfanylidene-1,2,4-triazolidin-3-one
InChI:
InChI=1S/C5H9N3OS/c1-2-3-8-4(9)6-7-5(8)10/h2-3H2,1H3,(H,6,9)(H,7,10)
InChI Key:
GHCGODLOVBNJQV-UHFFFAOYSA-N
SMILES:
CCCn1c(O)nnc1S
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.047g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.207g/mol
Monoisotopic Mass:
159.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties