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75350-99-1 | Guanidine,N,N'-diphenyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS No: 75350-99-1 Catalog No: AG005Y0H MDL No:
Product Description
Catalog Number:
AG005Y0H
Chemical Name:
Guanidine,N,N'-diphenyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)-
CAS Number:
75350-99-1
Molecular Formula:
C15H12N4S3
Molecular Weight:
344.4776
IUPAC Name:
1,2-diphenyl-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
InChI:
InChI=1S/C15H12N4S3/c16-13(17-11-7-3-1-4-8-11)19(12-9-5-2-6-10-12)14-18-15(20)22-21-14/h1-10H,(H2,16,17)
InChI Key:
YFFCRAPOYVIPLD-UHFFFAOYSA-N
SMILES:
S=c1ssc(n1)N(c1ccccc1)C(=N)Nc1ccccc1
NSC Number:
348981
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.022g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.469g/mol
Monoisotopic Mass:
344.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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