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

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

CAS No.:
397291-10-0
Catalog Number:
AG01BBYB
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BBYB
Chemical Name:
2-[(4-amino-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CAS Number:
397291-10-0
MDL Number:
MFCD03035805
IUPAC Name:
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
InChI:
InChI=1S/C7H12N4O2S/c1-2-3-5-9-10-7(11(5)8)14-4-6(12)13/h2-4,8H2,1H3,(H,12,13)
InChI Key:
MMMSXTGJVFHQHI-UHFFFAOYSA-N
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.068g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.259g/mol
Monoisotopic Mass:
216.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties