sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 6-Isothiocyanato-2,3-dihydro-1,4-benzodioxine

6-Isothiocyanato-2,3-dihydro-1,4-benzodioxine

CAS No.:
141492-50-4
Catalog Number:
AG001GGL
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$85
- +
500mg
98%
In Stock USA
United States
$144
- +
1g
98%
In Stock USA
United States
$194
- +
5g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG001GGL
Chemical Name:
6-Isothiocyanato-2,3-dihydro-1,4-benzodioxine
CAS Number:
141492-50-4
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD00175465
IUPAC Name:
6-isothiocyanato-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
InChI Key:
KALNNFRLHRAJNK-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc2c(c1)OCCO2
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties