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14124-34-6 | 5H-Tetrazole-5-thione, 1-(3-aminophenyl)-1,2-dihydro-, hydrochloride (1:?)
CAS No: 14124-34-6 Catalog No: AG001G57 MDL No:
Product Description
Catalog Number:
AG001G57
Chemical Name:
5H-Tetrazole-5-thione, 1-(3-aminophenyl)-1,2-dihydro-, hydrochloride (1:?)
CAS Number:
14124-34-6
Molecular Formula:
C7H8ClN5S
Molecular Weight:
229.6899
IUPAC Name:
1-(3-aminophenyl)-2H-tetrazole-5-thione;hydrochloride
InChI:
InChI=1S/C7H7N5S.ClH/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12;/h1-4H,8H2,(H,9,11,13);1H
InChI Key:
BMRLZHWIMPOGRN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)n1[nH]nnc1=S.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.686g/mol
Monoisotopic Mass:
229.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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