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Home Other Building Blocks 2-Methoxybenzothioamide

2-Methoxybenzothioamide

CAS No.:
42590-97-6
Catalog Number:
AG003HKO
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
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Product Description
Catalog Number:
AG003HKO
Chemical Name:
2-Methoxybenzothioamide
CAS Number:
42590-97-6
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD04973324
IUPAC Name:
2-methoxybenzenecarbothioamide
InChI:
InChI=1S/C8H9NOS/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5H,1H3,(H2,9,11)
InChI Key:
YNEHBLLUZJTDOL-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=S)N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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
Reaction and characterization of thioamide dianions derived from N-benzyl thioamides. The Journal of organic chemistry 20031031
Properties