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162970-31-2

162970-31-2 | 2(1H)-Pyridinethione, 1-(2-azidoethyl)-

CAS No: 162970-31-2 Catalog No: AG001TLC MDL No:

Product Description

Catalog Number:
AG001TLC
Chemical Name:
2(1H)-Pyridinethione, 1-(2-azidoethyl)-
CAS Number:
162970-31-2
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
IUPAC Name:
1-(2-azidoethyl)pyridine-2-thione
InChI:
InChI=1S/C7H8N4S/c8-10-9-4-6-11-5-2-1-3-7(11)12/h1-3,5H,4,6H2
InChI Key:
ATFOBFLIXCBRPI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCn1ccccc1=S

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.229g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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