Home Other Building Blocks 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE

CAS No.:
6095-82-5
Catalog Number:
AG003FNV
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$170
- +
Product Description
Catalog Number:
AG003FNV
Chemical Name:
2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
CAS Number:
6095-82-5
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00022055
IUPAC Name:
2-isothiocyanato-1,3,5-trimethylbenzene
InChI:
InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
InChI Key:
KKYMYPLVBCVDPL-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cc(cc1C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties