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123799-96-2 | 3H-1,2,4-Triazole-3-thione, 4-[2-(diethylamino)ethyl]-2,4-dihydro-
CAS No: 123799-96-2 Catalog No: AG000L3M MDL No:
Product Description
Catalog Number:
AG000L3M
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-[2-(diethylamino)ethyl]-2,4-dihydro-
CAS Number:
123799-96-2
Molecular Formula:
C8H16N4S
Molecular Weight:
200.3044
IUPAC Name:
4-[2-(diethylamino)ethyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H16N4S/c1-3-11(4-2)5-6-12-7-9-10-8(12)13/h7H,3-6H2,1-2H3,(H,10,13)
InChI Key:
ICYGEYIIKYVRJM-UHFFFAOYSA-N
SMILES:
CCN(CCn1cn[nH]c1=S)CC
Properties
Complexity:
200
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:
1
Isotope Atom Count:
0
Molecular Weight:
200.304g/mol
Monoisotopic Mass:
200.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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