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23015-41-0 | Methanethione, (3-hydroxy-4-methoxyphenyl)-4-morpholinyl-
CAS No: 23015-41-0 Catalog No: AG002LVT MDL No:MFCD01062130
Product Description
Catalog Number:
AG002LVT
Chemical Name:
Methanethione, (3-hydroxy-4-methoxyphenyl)-4-morpholinyl-
CAS Number:
23015-41-0
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD01062130
IUPAC Name:
(3-hydroxy-4-methoxyphenyl)-morpholin-4-ylmethanethione
InChI:
InChI=1S/C12H15NO3S/c1-15-11-3-2-9(8-10(11)14)12(17)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3
InChI Key:
FZKGWXMHZSIUIU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)C(=S)N1CCOCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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