Home Halogens o-chlorophenylthioacetate

o-chlorophenylthioacetate

CAS No.:
18619-18-6
Catalog Number:
AG00AL08
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
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Product Description
Catalog Number:
AG00AL08
Chemical Name:
o-chlorophenylthioacetate
CAS Number:
18619-18-6
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
MDL Number:
MFCD01910097
IUPAC Name:
2-(2-chlorophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H7ClO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
DRTNNSJQBCUQML-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccccc1Cl
UNII:
LFQ8288EHB
NSC Number:
513490
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.652g/mol
Monoisotopic Mass:
201.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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