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113657-05-9 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-bis[2-(4-morpholinyl)ethyl]-
CAS No: 113657-05-9 Catalog No: AG000983 MDL No:
Product Description
Catalog Number:
AG000983
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-bis[2-(4-morpholinyl)ethyl]-
CAS Number:
113657-05-9
Molecular Formula:
C14H25N5O2S
Molecular Weight:
327.4456
IUPAC Name:
3,4-bis(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H25N5O2S/c22-14-16-15-13(1-2-17-5-9-20-10-6-17)19(14)4-3-18-7-11-21-12-8-18/h1-12H2,(H,16,22)
InChI Key:
JLOXDRQTKWSLAW-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(n1CCN1CCOCC1)CCN1CCOCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.447g/mol
Monoisotopic Mass:
327.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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