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35370-80-0,MFCD00100035
Catalog No.:AA003HRY
35370-80-0 | 2-Phenoxythioacetamide
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250mg
97%
2 weeks  
$110.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003HRY
Chemical Name:
2-Phenoxythioacetamide
CAS Number:
35370-80-0
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD00100035
IUPAC Name:
2-phenoxyethanethioamide
InChI:
InChI=1S/C8H9NOS/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11)
InChI Key:
XORPVBXCJIPCBQ-UHFFFAOYSA-N
SMILES:
NC(=S)COc1ccccc1
NSC Number:
277300
Properties
Computed Properties
 
Complexity:
132  
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:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
2-phenoxyethanethioamide 
35370-80-0 
MLS000834995 
SCHEMBL159433 
CHEMBL1602541 
CTK1C6753 
DTXSID60372598 
XORPVBXCJIPCBQ-UHFFFAOYSA-N 
HMS1533P20 
HMS2799J22 
ZINC5647051 
2-Phenoxyethanethioamide, AldrichCPR 
2-Phenoxythioacetamide 
SBB016514 
STL479427 
AKOS000203332 
MCULE-7627348027 
NE29449 
NSC-277300 
FS000867 
SMR000461611 
DB-021478 
TC-170341 
MFCD00100035 
FT-0691829 
ST50328461 
370P800 
BRD-K26763379-001-01-9 
Z111874718 
CID2746050 
1-amino-2-phenoxyethane-1-thione 
NSC277300 
ACMC-1AHJV 
AC1MCKP1 
Maybridge4_004574 
Ethanethioamide, 2-phenoxy- 
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

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