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1287218-52-3 | Methyl 3-[(3-Aminothien-2-yl)thio]propanoate
CAS No: 1287218-52-3 Catalog No: AG01FAM6 MDL No:
Product Description
Catalog Number:
AG01FAM6
Chemical Name:
Methyl 3-[(3-Aminothien-2-yl)thio]propanoate
CAS Number:
1287218-52-3
Molecular Formula:
C8H11NO2S2
Molecular Weight:
217.3084
IUPAC Name:
methyl 3-(3-aminothiophen-2-yl)sulfanylpropanoate
InChI:
InChI=1S/C8H11NO2S2/c1-11-7(10)3-5-13-8-6(9)2-4-12-8/h2,4H,3,5,9H2,1H3
InChI Key:
YBBDDARIUGACPP-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1sccc1N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.301g/mol
Monoisotopic Mass:
217.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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