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201008-69-7 | Isoxazole, 4-(1,3-dithian-2-yl)-3,5-dimethyl-
CAS No: 201008-69-7 Catalog No: AG002D4O MDL No:MFCD26960637
Product Description
Catalog Number:
AG002D4O
Chemical Name:
Isoxazole, 4-(1,3-dithian-2-yl)-3,5-dimethyl-
CAS Number:
201008-69-7
Molecular Formula:
C9H13NOS2
Molecular Weight:
215.3356
MDL Number:
MFCD26960637
IUPAC Name:
4-(1,3-dithian-2-yl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C9H13NOS2/c1-6-8(7(2)11-10-6)9-12-4-3-5-13-9/h9H,3-5H2,1-2H3
InChI Key:
AWFITQFOBMMTKX-UHFFFAOYSA-N
SMILES:
Cc1onc(c1C1SCCCS1)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.329g/mol
Monoisotopic Mass:
215.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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