Home Other Building Blocks 5-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pentan-1-amine hydroiodide

5-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pentan-1-amine hydroiodide

CAS No.:
1171624-87-5
Catalog Number:
AG019OBF
Molecular Formula:
C10H21IN4S
Molecular Weight:
356.2700
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Product Description
Catalog Number:
AG019OBF
Chemical Name:
5-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]pentan-1-amine hydroiodide
CAS Number:
1171624-87-5
Molecular Formula:
C10H21IN4S
Molecular Weight:
356.2700
MDL Number:
MFCD08270248
IUPAC Name:
5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine;hydroiodide
InChI:
InChI=1S/C10H20N4S.HI/c1-3-14-9(7-5-4-6-8-11)12-13-10(14)15-2;/h3-8,11H2,1-2H3;1H
InChI Key:
YXLZAYXNWXPSMD-UHFFFAOYSA-N
SMILES:
NCCCCCc1nnc(n1CC)SC.I
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.27g/mol
Monoisotopic Mass:
356.053g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties