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139451-30-2 | 5H-Tetrazole-5-thione, 1-(3,5-dichlorophenyl)-1,2-dihydro-
CAS No: 139451-30-2 Catalog No: AG001B1V MDL No:
Product Description
Catalog Number:
AG001B1V
Chemical Name:
5H-Tetrazole-5-thione, 1-(3,5-dichlorophenyl)-1,2-dihydro-
CAS Number:
139451-30-2
Molecular Formula:
C7H4Cl2N4S
Molecular Weight:
247.1045
IUPAC Name:
1-(3,5-dichlorophenyl)-2H-tetrazole-5-thione
InChI:
InChI=1S/C7H4Cl2N4S/c8-4-1-5(9)3-6(2-4)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)
InChI Key:
IEKFYDJRANIPDQ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)n1[nH]nnc1=S
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.097g/mol
Monoisotopic Mass:
245.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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