Home Other Building Blocks 5-(piperidin-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

5-(piperidin-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS No.:
1269152-36-4
Catalog Number:
AG01AGQ6
Molecular Formula:
C10H19ClN4S
Molecular Weight:
262.8027
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Product Description
Catalog Number:
AG01AGQ6
Chemical Name:
5-(piperidin-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride
CAS Number:
1269152-36-4
Molecular Formula:
C10H19ClN4S
Molecular Weight:
262.8027
MDL Number:
MFCD18380620
IUPAC Name:
3-piperidin-3-yl-4-propan-2-yl-1H-1,2,4-triazole-5-thione;hydrochloride
InChI:
InChI=1S/C10H18N4S.ClH/c1-7(2)14-9(12-13-10(14)15)8-4-3-5-11-6-8;/h7-8,11H,3-6H2,1-2H3,(H,13,15);1H
InChI Key:
ZGZIMODOOCNOFT-UHFFFAOYSA-N
SMILES:
CC(n1c(S)nnc1C1CCCNC1)C.Cl
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.102g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
262.8g/mol
Monoisotopic Mass:
262.102g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties