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3097-42-5

3097-42-5 | 4H-Imidazole-4-thione, 2,3-dihydro-2,3-dimethyl-2,5-diphenyl-

CAS No: 3097-42-5 Catalog No: AG0031SX MDL No:

Product Description

Catalog Number:
AG0031SX
Chemical Name:
4H-Imidazole-4-thione, 2,3-dihydro-2,3-dimethyl-2,5-diphenyl-
CAS Number:
3097-42-5
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
IUPAC Name:
2,3-dimethyl-2,5-diphenylimidazole-4-thione
InChI:
InChI=1S/C17H16N2S/c1-17(14-11-7-4-8-12-14)18-15(16(20)19(17)2)13-9-5-3-6-10-13/h3-12H,1-2H3
InChI Key:
CSWPRWLNSARBQZ-UHFFFAOYSA-N
SMILES:
S=C1C(=NC(N1C)(C)c1ccccc1)c1ccccc1

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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