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89093-73-2 | 1,2,4,5-Tetrazine-3(2H)-thione, 6-cyclohexyltetrahydro-
CAS No: 89093-73-2 Catalog No: AG003ZZ0 MDL No:
Product Description
Catalog Number:
AG003ZZ0
Chemical Name:
1,2,4,5-Tetrazine-3(2H)-thione, 6-cyclohexyltetrahydro-
CAS Number:
89093-73-2
Molecular Formula:
C8H16N4S
Molecular Weight:
200.3044
IUPAC Name:
6-cyclohexyl-1,2,4,5-tetrazinane-3-thione
InChI:
InChI=1S/C8H16N4S/c13-8-11-9-7(10-12-8)6-4-2-1-3-5-6/h6-7,9-10H,1-5H2,(H2,11,12,13)
InChI Key:
YQGNVAOXDFAVDZ-UHFFFAOYSA-N
SMILES:
S=C1NNC(NN1)C1CCCCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
200.304g/mol
Monoisotopic Mass:
200.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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