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954376-25-1

954376-25-1 | tert-butyl N-methyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate

CAS No: 954376-25-1 Catalog No: AG01BC91 MDL No:MFCD24470644

Product Description

Catalog Number:
AG01BC91
Chemical Name:
tert-butyl N-methyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate
CAS Number:
954376-25-1
Molecular Formula:
C13H20N2O2S2
Molecular Weight:
300.4401
MDL Number:
MFCD24470644
IUPAC Name:
tert-butyl N-methyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate
InChI:
InChI=1S/C13H20N2O2S2/c1-13(2,3)17-12(16)15(4)9-10-18-19-11-7-5-6-8-14-11/h5-8H,9-10H2,1-4H3
InChI Key:
FUNKNZAFGJKWCL-UHFFFAOYSA-N
SMILES:
O=C(N(CCSSc1ccccn1)C)OC(C)(C)C

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.097g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.435g/mol
Monoisotopic Mass:
300.097g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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