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Home Other Building Blocks 2-Methoxyphenyl isothiocyanate

2-Methoxyphenyl isothiocyanate

CAS No.:
3288-04-8
Catalog Number:
AG003HKE
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$60
- +
25g
95%
In Stock USA
United States
$213
- +
Product Description
Catalog Number:
AG003HKE
Chemical Name:
2-Methoxyphenyl isothiocyanate
CAS Number:
3288-04-8
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00011675
IUPAC Name:
1-isothiocyanato-2-methoxybenzene
InChI:
InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChI Key:
QKAOOWJWWKWWOZ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1OC
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
2-Methoxyphenyl isocyanate and 2-Methoxyphenyl isothiocyanate: conformers, vibration structure and multiplet Fermi resonance. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties