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Home Other Building Blocks 3-((1-Phenyl-1H-tetrazol-5-yl)thio)propanoic acid

3-((1-Phenyl-1H-tetrazol-5-yl)thio)propanoic acid

CAS No.:
1437-67-8
Catalog Number:
AG001I7J
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG001I7J
Chemical Name:
3-((1-Phenyl-1H-tetrazol-5-yl)thio)propanoic acid
CAS Number:
1437-67-8
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
MDL Number:
MFCD00772095
IUPAC Name:
3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C10H10N4O2S/c15-9(16)6-7-17-10-11-12-13-14(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChI Key:
OQHPRPRMWXDVOV-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1nnnn1c1ccccc1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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