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132029-27-7 | 5H-Tetrazole-5-thione, 1-[(4-aminophenyl)methyl]-1,2-dihydro-
CAS No: 132029-27-7 Catalog No: AG00102G MDL No:
Product Description
Catalog Number:
AG00102G
Chemical Name:
5H-Tetrazole-5-thione, 1-[(4-aminophenyl)methyl]-1,2-dihydro-
CAS Number:
132029-27-7
Molecular Formula:
C8H9N5S
Molecular Weight:
207.2556
IUPAC Name:
1-[(4-aminophenyl)methyl]-2H-tetrazole-5-thione
InChI:
InChI=1S/C8H9N5S/c9-7-3-1-6(2-4-7)5-13-8(14)10-11-12-13/h1-4H,5,9H2,(H,10,12,14)
InChI Key:
GIIBEOGRJWULLK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1[nH]nnc1=S
Properties
Complexity:
246
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:
2
Isotope Atom Count:
0
Molecular Weight:
207.255g/mol
Monoisotopic Mass:
207.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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