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1287218-63-6 | Methyl [(3-Aminothien-2-yl)thio]acetate
CAS No: 1287218-63-6 Catalog No: AG01FCAS MDL No:
Product Description
Catalog Number:
AG01FCAS
Chemical Name:
Methyl [(3-Aminothien-2-yl)thio]acetate
CAS Number:
1287218-63-6
Molecular Formula:
C7H9NO2S2
Molecular Weight:
203.2819
IUPAC Name:
methyl 2-(3-aminothiophen-2-yl)sulfanylacetate
InChI:
InChI=1S/C7H9NO2S2/c1-10-6(9)4-12-7-5(8)2-3-11-7/h2-3H,4,8H2,1H3
InChI Key:
CPUDUZURJCQCKB-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1sccc1N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.274g/mol
Monoisotopic Mass:
203.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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