Home Other Building Blocks 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE

2,5-DIMETHOXYPHENYL ISOTHIOCYANATE

CAS No.:
40532-06-7
Catalog Number:
AG003FZ3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
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Product Description
Catalog Number:
AG003FZ3
Chemical Name:
2,5-DIMETHOXYPHENYL ISOTHIOCYANATE
CAS Number:
40532-06-7
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00041059
IUPAC Name:
2-isothiocyanato-1,4-dimethoxybenzene
InChI:
InChI=1S/C9H9NO2S/c1-11-7-3-4-9(12-2)8(5-7)10-6-13/h3-5H,1-2H3
InChI Key:
RADQLZMDTYWZKA-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(OC)ccc1OC
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties