200,000+ products from a single source!
sales@angenechem.com
2060032-05-3 | tert-butyl N-[2-(5-iodo-2H-1,3,2-benzodithiazol-2-yl)ethyl]carbamate
CAS No: 2060032-05-3 Catalog No: AG01BVXL MDL No:MFCD30476559
Product Description
Catalog Number:
AG01BVXL
Chemical Name:
tert-butyl N-[2-(5-iodo-2H-1,3,2-benzodithiazol-2-yl)ethyl]carbamate
CAS Number:
2060032-05-3
Molecular Formula:
C13H17IN2O2S2
Molecular Weight:
424.3207
MDL Number:
MFCD30476559
IUPAC Name:
tert-butyl N-[2-(5-iodo-1,3,2-benzodithiazol-2-yl)ethyl]carbamate
InChI:
InChI=1S/C13H17IN2O2S2/c1-13(2,3)18-12(17)15-6-7-16-19-10-5-4-9(14)8-11(10)20-16/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChI Key:
PWZNBDAVURHPRS-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)SN(S2)CCNC(=O)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.315g/mol
Monoisotopic Mass:
423.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.