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82069-15-6 | 5H-Tetrazole-5-thione, 1-(2,5-dimethoxyphenyl)-1,2-dihydro-
CAS No: 82069-15-6 Catalog No: AG004X4J MDL No:MFCD03126895
Product Description
Catalog Number:
AG004X4J
Chemical Name:
5H-Tetrazole-5-thione, 1-(2,5-dimethoxyphenyl)-1,2-dihydro-
CAS Number:
82069-15-6
Molecular Formula:
C9H10N4O2S
Molecular Weight:
238.2663
MDL Number:
MFCD03126895
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C9H10N4O2S/c1-14-6-3-4-8(15-2)7(5-6)13-9(16)10-11-12-13/h3-5H,1-2H3,(H,10,12,16)
InChI Key:
FUGQRJFPUAIEBK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)n1[nH]nnc1=S)OC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.265g/mol
Monoisotopic Mass:
238.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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