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Home Aminos 5-(aminomethyl)-4-methyl-4H-1,2,4-triazole-3-thiol hydrochloride

5-(aminomethyl)-4-methyl-4H-1,2,4-triazole-3-thiol hydrochloride

CAS No.:
1258640-61-7
Catalog Number:
AG01AAR8
Molecular Formula:
C4H9ClN4S
Molecular Weight:
180.6591
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Product Description
Catalog Number:
AG01AAR8
Chemical Name:
5-(aminomethyl)-4-methyl-4H-1,2,4-triazole-3-thiol hydrochloride
CAS Number:
1258640-61-7
Molecular Formula:
C4H9ClN4S
Molecular Weight:
180.6591
MDL Number:
MFCD17480396
IUPAC Name:
3-(aminomethyl)-4-methyl-1H-1,2,4-triazole-5-thione;hydrochloride
InChI:
InChI=1S/C4H8N4S.ClH/c1-8-3(2-5)6-7-4(8)9;/h2,5H2,1H3,(H,7,9);1H
InChI Key:
POWPLXBOAYIQPQ-UHFFFAOYSA-N
SMILES:
Cn1c(CN)nnc1S.Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.024g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.654g/mol
Monoisotopic Mass:
180.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties