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21494-82-6 | 4-benzyl-5-(benzylimino)-1,2,4-dithiazolidine-3-thione
CAS No: 21494-82-6 Catalog No: AG007QAE MDL No:
Product Description
Catalog Number:
AG007QAE
Chemical Name:
4-benzyl-5-(benzylimino)-1,2,4-dithiazolidine-3-thione
CAS Number:
21494-82-6
Molecular Formula:
C16H14N2S3
Molecular Weight:
330.4908
IUPAC Name:
4-benzyl-5-benzylimino-1,2,4-dithiazolidine-3-thione
InChI:
InChI=1S/C16H14N2S3/c19-16-18(12-14-9-5-2-6-10-14)15(20-21-16)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChI Key:
ICCSVMYYKVCPIR-UHFFFAOYSA-N
SMILES:
S=c1ssc(=NCc2ccccc2)n1Cc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.032g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.482g/mol
Monoisotopic Mass:
330.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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