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1211504-19-6 | tert-Butyl (3-iodo-4-(methylthio)pyridin-2-yl)carbamate
CAS No: 1211504-19-6 Catalog No: AG007473 MDL No:
Product Description
Catalog Number:
AG007473
Chemical Name:
tert-Butyl (3-iodo-4-(methylthio)pyridin-2-yl)carbamate
CAS Number:
1211504-19-6
Molecular Formula:
C11H15IN2O2S
Molecular Weight:
366.2185
IUPAC Name:
tert-butyl N-(3-iodo-4-methylsulfanylpyridin-2-yl)carbamate
InChI:
InChI=1S/C11H15IN2O2S/c1-11(2,3)16-10(15)14-9-8(12)7(17-4)5-6-13-9/h5-6H,1-4H3,(H,13,14,15)
InChI Key:
DWTLWQKJBLQWOY-UHFFFAOYSA-N
SMILES:
CSc1ccnc(c1I)NC(=O)OC(C)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.217g/mol
Monoisotopic Mass:
365.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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