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130255-90-2 | 1,2,4-Dithiazolidin-3-one, 5-(methylimino)-4-phenyl-
CAS No: 130255-90-2 Catalog No: AG007MRY MDL No:
Product Description
Catalog Number:
AG007MRY
Chemical Name:
1,2,4-Dithiazolidin-3-one, 5-(methylimino)-4-phenyl-
CAS Number:
130255-90-2
Molecular Formula:
C9H8N2OS2
Molecular Weight:
224.3026
IUPAC Name:
5-methylimino-4-phenyl-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C9H8N2OS2/c1-10-8-11(9(12)14-13-8)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
OKXMYFXQVQWLRP-UHFFFAOYSA-N
SMILES:
CN=c1ssc(=O)n1c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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