Home Aminos 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]butanoic acid hydrochloride

2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]butanoic acid hydrochloride

CAS No.:
1803585-96-7
Catalog Number:
AG01B8GL
Molecular Formula:
C6H11ClN4O2S
Molecular Weight:
238.6951
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Product Description
Catalog Number:
AG01B8GL
Chemical Name:
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]butanoic acid hydrochloride
CAS Number:
1803585-96-7
Molecular Formula:
C6H11ClN4O2S
Molecular Weight:
238.6951
MDL Number:
MFCD28246505
IUPAC Name:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid;hydrochloride
InChI:
InChI=1S/C6H10N4O2S.ClH/c1-2-3(4(11)12)13-6-8-5(7)9-10-6;/h3H,2H2,1H3,(H,11,12)(H3,7,8,9,10);1H
InChI Key:
GUIYGQWTLQOEHT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Sc1nc(n[nH]1)N.Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
238.69g/mol
Monoisotopic Mass:
238.029g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties