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141703-32-4 | 5H-Tetrazole-5-thione, 1-[(4-ethoxyphenyl)methyl]-1,2-dihydro-
CAS No: 141703-32-4 Catalog No: AG001GXE MDL No:
Product Description
Catalog Number:
AG001GXE
Chemical Name:
5H-Tetrazole-5-thione, 1-[(4-ethoxyphenyl)methyl]-1,2-dihydro-
CAS Number:
141703-32-4
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
IUPAC Name:
1-[(4-ethoxyphenyl)methyl]-2H-tetrazole-5-thione
InChI:
InChI=1S/C10H12N4OS/c1-2-15-9-5-3-8(4-6-9)7-14-10(16)11-12-13-14/h3-6H,2,7H2,1H3,(H,11,13,16)
InChI Key:
HJEQJIDVXOREFQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Cn1[nH]nnc1=S
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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