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75449-07-9 | 1-(4-METHYL-2-(METHYLTHIO)-1,3-THIAZOL-5-YL)-3-(4-MORPHOLINYL)-1-PROPANONE
CAS No: 75449-07-9 Catalog No: AG005X84 MDL No:
Product Description
Catalog Number:
AG005X84
Chemical Name:
1-(4-METHYL-2-(METHYLTHIO)-1,3-THIAZOL-5-YL)-3-(4-MORPHOLINYL)-1-PROPANONE
CAS Number:
75449-07-9
Molecular Formula:
C12H18N2O2S2
Molecular Weight:
286.4135
IUPAC Name:
1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
InChI:
InChI=1S/C12H18N2O2S2.ClH/c1-9-11(18-12(13-9)17-2)10(15)3-4-14-5-7-16-8-6-14;/h3-8H2,1-2H3;1H
InChI Key:
XMVUYVHABBEELC-UHFFFAOYSA-N
SMILES:
CSc1sc(c(n1)C)C(=O)CCN1CCOCC1
NSC Number:
374351
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.866g/mol
Monoisotopic Mass:
322.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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