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Home Other Building Blocks 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE

2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE

CAS No.:
25343-70-8
Catalog Number:
AG003G4Z
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$125
- +
5g
1 week
United States
$225
- +
10g
1 week
United States
$362
- +
25g
1 week
United States
$634
- +
Product Description
Catalog Number:
AG003G4Z
Chemical Name:
2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE
CAS Number:
25343-70-8
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
MDL Number:
MFCD01631465
IUPAC Name:
2-isothiocyanato-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChI Key:
HZGOUCYIYIFQHX-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N=C=S)C(C)C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
Properties