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101387-48-8 | 2H-1,3,4-Thiadiazin-5(6H)-one, dihydro-3,4-dimethyl-2-(phenylimino)-
CAS No: 101387-48-8 Catalog No: AG0004CJ MDL No:
Product Description
Catalog Number:
AG0004CJ
Chemical Name:
2H-1,3,4-Thiadiazin-5(6H)-one, dihydro-3,4-dimethyl-2-(phenylimino)-
CAS Number:
101387-48-8
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
3,4-dimethyl-2-phenylimino-1,3,4-thiadiazinan-5-one
InChI:
InChI=1S/C11H13N3OS/c1-13-10(15)8-16-11(14(13)2)12-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
POKVOEBGIZWMLO-UHFFFAOYSA-N
SMILES:
CN1C(=Nc2ccccc2)SCC(=O)N1C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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