Home Other Building Blocks 5-(morpholin-4-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

5-(morpholin-4-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
923125-44-4
Catalog Number:
AG019K8M
Molecular Formula:
C11H18N4O2S
Molecular Weight:
270.3512
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Product Description
Catalog Number:
AG019K8M
Chemical Name:
5-(morpholin-4-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
923125-44-4
Molecular Formula:
C11H18N4O2S
Molecular Weight:
270.3512
MDL Number:
MFCD08691154
IUPAC Name:
3-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H18N4O2S/c18-11-13-12-10(14-3-6-16-7-4-14)15(11)8-9-2-1-5-17-9/h9H,1-8H2,(H,13,18)
InChI Key:
PPRYRQSBWFHMST-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1CC1CCCO1)N1CCOCC1
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.115g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.351g/mol
Monoisotopic Mass:
270.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties