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Home > Pyridines > 1038377-20-6
1038377-20-6 | 1-[2-(pyridin-2-yl)ethyl]-1H-1,2,3,4-tetrazole-5-thiol
CAS No: 1038377-20-6 Catalog No: AG01AA5Z MDL No:MFCD11202741
Product Description
Catalog Number:
AG01AA5Z
Chemical Name:
1-[2-(pyridin-2-yl)ethyl]-1H-1,2,3,4-tetrazole-5-thiol
CAS Number:
1038377-20-6
Molecular Formula:
C8H9N5S
Molecular Weight:
207.2556
MDL Number:
MFCD11202741
IUPAC Name:
1-(2-pyridin-2-ylethyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C8H9N5S/c14-8-10-11-12-13(8)6-4-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,10,12,14)
InChI Key:
SZEBWIIQVYHJKO-UHFFFAOYSA-N
SMILES:
Sc1nnnn1CCc1ccccn1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.255g/mol
Monoisotopic Mass:
207.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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