200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 832724-80-8
832724-80-8 | Thiocyanic acid, [1-[(3-methoxyphenyl)methyl]-2-aziridinyl]methyl ester
CAS No: 832724-80-8 Catalog No: AG004TBY MDL No:
Product Description
Catalog Number:
AG004TBY
Chemical Name:
Thiocyanic acid, [1-[(3-methoxyphenyl)methyl]-2-aziridinyl]methyl ester
CAS Number:
832724-80-8
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
IUPAC Name:
[1-[(3-methoxyphenyl)methyl]aziridin-2-yl]methyl thiocyanate
InChI:
InChI=1S/C12H14N2OS/c1-15-12-4-2-3-10(5-12)6-14-7-11(14)8-16-9-13/h2-5,11H,6-8H2,1H3
InChI Key:
AOELIUBRSCJUBF-UHFFFAOYSA-N
SMILES:
N#CSCC1CN1Cc1cccc(c1)OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.