Home Other Building Blocks 3,4-Dimethoxyphenethyl isothiocyanate

3,4-Dimethoxyphenethyl isothiocyanate

CAS No.:
21714-25-0
Catalog Number:
AG003IIA
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$99
- +
5g
98%
1 week
United States
$221
- +
Product Description
Catalog Number:
AG003IIA
Chemical Name:
3,4-Dimethoxyphenethyl isothiocyanate
CAS Number:
21714-25-0
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
MDL Number:
MFCD00041366
IUPAC Name:
4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
InChI:
InChI=1S/C11H13NO2S/c1-13-10-4-3-9(5-6-12-8-15)7-11(10)14-2/h3-4,7H,5-6H2,1-2H3
InChI Key:
GHYFLDWHIVKQLS-UHFFFAOYSA-N
SMILES:
S=C=NCCc1ccc(c(c1)OC)OC
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties