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42590-97-6,MFCD04973324
Catalog No.:AA003HHW
42590-97-6 | 2-Methoxybenzothioamide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$112.00   $78.00
- +
500mg
95.0%
3 weeks  
$115.00   $80.00
- +
1g
95.0%
3 weeks  
$123.00   $86.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HHW
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
Computed 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  

Synonyms
 
42590-97-6 
2-methoxybenzothioamide 
AC1MC12T 
MLS000335662 
2-METHOXY THIOBENZAMIDE 
SCHEMBL3046280 
2-Methoxybenzenecarbothioamide # 
Benzenecarbothioamide,2-methoxy- 
CHEMBL1426666 
CTK4I6450 
DTXSID60374890 
HMS1755H05 
2-Methoxythiobenzamide 
HMS2531N16 
2-methoxythiobenzamide, AldrichCPR 
AC1Q4507 
ZINC8685363 
SBB088105 
AKOS001132942 
AB21279 
MCULE-2949360858 
NE27918 
AS-44305 
2-Methoxybenzenecarbothioamide 
SMR000253416 
FT-0691742 
ST51042058 
EN300-09526 
A825952 
ZINC02540605 
CID2759731 
Benzenecarbothioamide, 2-methoxy- (9CI) 
2-methoxy-thiobenzamide 
YNEHBLLUZJTDOL-UHFFFAOYSA-N 
MFCD04973324 
2-METHOXYBENZENE-1-CARBOTHIOAMIDE 
amino(2-methoxyphenyl)methane-1-thione 
o-Methoxythiobenzamide 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Reaction and characterization of thioamide dianions derived from N-benzyl thioamides.

Journal: The Journal of organic chemistry 20031031

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