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Home Other Building Blocks 2,6-DIETHYLPHENYL ISOTHIOCYANATE

2,6-DIETHYLPHENYL ISOTHIOCYANATE

CAS No.:
25343-69-5
Catalog Number:
AG003G3Z
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$59
- +
5g
97%
1 week
United States
$96
- +
25g
97%
1 week
United States
$309
- +
100g
97%
1 week
United States
$864
- +
Product Description
Catalog Number:
AG003G3Z
Chemical Name:
2,6-DIETHYLPHENYL ISOTHIOCYANATE
CAS Number:
25343-69-5
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD00041069
IUPAC Name:
1,3-diethyl-2-isothiocyanatobenzene
InChI:
InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3
InChI Key:
QDPPZHPTDMQNBE-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1N=C=S)CC
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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