sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid

2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid

CAS No.:
338746-11-5
Catalog Number:
AG01A5LS
Molecular Formula:
C10H7ClN2O3S
Molecular Weight:
270.6922
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A5LS
Chemical Name:
2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid
CAS Number:
338746-11-5
Molecular Formula:
C10H7ClN2O3S
Molecular Weight:
270.6922
MDL Number:
MFCD17412558
IUPAC Name:
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
InChI Key:
BGDMJXZYDKFEGJ-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1onc(n1)c1cccc(c1)Cl
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.987g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.687g/mol
Monoisotopic Mass:
269.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor. Journal of molecular biology 20010824
Properties