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125454-30-0 | Propanoic acid, 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]-
CAS No: 125454-30-0 Catalog No: AG000NQ1 MDL No:
Product Description
Catalog Number:
AG000NQ1
Chemical Name:
Propanoic acid, 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]-
CAS Number:
125454-30-0
Molecular Formula:
C10H17N5O2S
Molecular Weight:
271.3393
IUPAC Name:
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
InChI:
InChI=1S/C10H17N5O2S/c1-3-11-8-13-9(12-4-2)15-10(14-8)18-6-5-7(16)17/h3-6H2,1-2H3,(H,16,17)(H2,11,12,13,14,15)
InChI Key:
COTMOGXWONPINR-UHFFFAOYSA-N
SMILES:
CCNc1nc(SCCC(=O)O)nc(n1)NCC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.339g/mol
Monoisotopic Mass:
271.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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