Home Other Building Blocks 2,4,6-trimethylbenzoyl isothiocyanate

2,4,6-trimethylbenzoyl isothiocyanate

CAS No.:
32709-74-3
Catalog Number:
AG01ACCO
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
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Product Description
Catalog Number:
AG01ACCO
Chemical Name:
2,4,6-trimethylbenzoyl isothiocyanate
CAS Number:
32709-74-3
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD12188964
IUPAC Name:
2,4,6-trimethylbenzoyl isothiocyanate
InChI:
InChI=1S/C11H11NOS/c1-7-4-8(2)10(9(3)5-7)11(13)12-6-14/h4-5H,1-3H3
InChI Key:
HRCDFWAWYGALDR-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties