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87427-76-7 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-iodophenyl)-
CAS No: 87427-76-7 Catalog No: AG004J7R MDL No:
Product Description
Catalog Number:
AG004J7R
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3-iodophenyl)-
CAS Number:
87427-76-7
Molecular Formula:
C9H7IN2OS
Molecular Weight:
318.1341
IUPAC Name:
5-(3-iodophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C9H7IN2OS/c10-7-3-1-2-6(4-7)8-5-14-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChI Key:
KEGFVIVBQOUVRG-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1cccc(c1)I
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.132g/mol
Monoisotopic Mass:
317.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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