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26580-58-5 | Ethanethione, 2-(3-bromophenyl)-1-(4-morpholinyl)-
CAS No: 26580-58-5 Catalog No: AG002TRW MDL No:
Product Description
Catalog Number:
AG002TRW
Chemical Name:
Ethanethione, 2-(3-bromophenyl)-1-(4-morpholinyl)-
CAS Number:
26580-58-5
Molecular Formula:
C12H14BrNOS
Molecular Weight:
300.2147
IUPAC Name:
2-(3-bromophenyl)-1-morpholin-4-ylethanethione
InChI:
InChI=1S/C12H14BrNOS/c13-11-3-1-2-10(8-11)9-12(16)14-4-6-15-7-5-14/h1-3,8H,4-7,9H2
InChI Key:
SDHWDXZJMQHXGW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CC(=S)N1CCOCC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.214g/mol
Monoisotopic Mass:
298.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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