sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Methyl 2-isothiocyanatobenzoate

Methyl 2-isothiocyanatobenzoate

CAS No.:
16024-82-1
Catalog Number:
AG001RSQ
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001RSQ
Chemical Name:
Methyl 2-isothiocyanatobenzoate
CAS Number:
16024-82-1
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD00041062
IUPAC Name:
methyl 2-isothiocyanatobenzoate
InChI:
InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3
InChI Key:
UNXVHBOJSCWVCD-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1C(=O)OC
EC Number:
240-164-2
Properties
Complexity:
236  
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:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Utility of methyl 2-isothiocyanatobenzoate in the synthesis of some new quinazoline derivatives as potential anticancer and radiosensitizing agents. Arzneimittel-Forschung 20110101
Properties