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Home Other Building Blocks 2-Phenoxyethanethioamide

2-Phenoxyethanethioamide

CAS No.:
35370-80-0
Catalog Number:
AG003HUQ
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
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Product Description
Catalog Number:
AG003HUQ
Chemical Name:
2-Phenoxyethanethioamide
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
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  
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
Properties