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Home Other Building Blocks [4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methanamine dihydrochloride

[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methanamine dihydrochloride

CAS No.:
1461706-99-9
Catalog Number:
AG01A5N0
Molecular Formula:
C5H12Cl2N4S
Molecular Weight:
231.1466
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Product Description
Catalog Number:
AG01A5N0
Chemical Name:
[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methanamine dihydrochloride
CAS Number:
1461706-99-9
Molecular Formula:
C5H12Cl2N4S
Molecular Weight:
231.1466
MDL Number:
MFCD25970272
IUPAC Name:
(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C5H10N4S.2ClH/c1-9-4(3-6)7-8-5(9)10-2;;/h3,6H2,1-2H3;2*1H
InChI Key:
HFKDXNIOFKQBGV-UHFFFAOYSA-N
SMILES:
NCc1nnc(n1C)SC.Cl.Cl
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.016g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.139g/mol
Monoisotopic Mass:
230.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties