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138220-27-6 | Thiourea, N-(6-methyl-5-phenyl-6H-1,3,4-thiadiazin-2-yl)-N'-phenyl-
CAS No: 138220-27-6 Catalog No: AG0018BG MDL No:
Product Description
Catalog Number:
AG0018BG
Chemical Name:
Thiourea, N-(6-methyl-5-phenyl-6H-1,3,4-thiadiazin-2-yl)-N'-phenyl-
CAS Number:
138220-27-6
Molecular Formula:
C17H16N4S2
Molecular Weight:
340.4657
IUPAC Name:
1-(6-methyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-ylidene)-3-phenylthiourea
InChI:
InChI=1S/C17H16N4S2/c1-12-15(13-8-4-2-5-9-13)20-21-17(23-12)19-16(22)18-14-10-6-3-7-11-14/h2-12H,1H3,(H2,18,19,21,22)
InChI Key:
HAJIIJAHTMAXHQ-UHFFFAOYSA-N
SMILES:
S=C(NC1=NN=C(C(S1)C)c1ccccc1)Nc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.463g/mol
Monoisotopic Mass:
340.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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