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Home > Pyridines > 1198785-11-3
1198785-11-3 | (6-Ethylsulfanyl-Pyridin-3-Yl)-Carbamic Acid Tert-Butyl Ester
CAS No: 1198785-11-3 Catalog No: AG00HF6K MDL No:
Product Description
Catalog Number:
AG00HF6K
Chemical Name:
(6-Ethylsulfanyl-Pyridin-3-Yl)-Carbamic Acid Tert-Butyl Ester
CAS Number:
1198785-11-3
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
IUPAC Name:
tert-butyl N-(6-ethylsulfanylpyridin-3-yl)carbamate
InChI:
InChI=1S/C12H18N2O2S/c1-5-17-10-7-6-9(8-13-10)14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChI Key:
OUCWZNFVBQDHTK-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cn1)NC(=O)OC(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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