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87427-78-9 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-methoxyphenyl)-
CAS No: 87427-78-9 Catalog No: AG004J7Q MDL No:
Product Description
Catalog Number:
AG004J7Q
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-methoxyphenyl)-
CAS Number:
87427-78-9
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
5-(3-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C10H10N2O2S/c1-14-8-4-2-3-7(5-8)9-6-15-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
VIETVZSBWKWPDE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=NNC(=O)SC1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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