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100498-99-5

100498-99-5 | Thiazole, 4,5-dihydro-2-[[(2-methylphenyl)methyl]thio]-

CAS No: 100498-99-5 Catalog No: AG00024W MDL No:

Product Description

Catalog Number:
AG00024W
Chemical Name:
Thiazole, 4,5-dihydro-2-[[(2-methylphenyl)methyl]thio]-
CAS Number:
100498-99-5
Molecular Formula:
C11H13NS2
Molecular Weight:
223.3576
IUPAC Name:
2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C11H13NS2/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11/h2-5H,6-8H2,1H3
InChI Key:
GQEBCTCKCOVOFQ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CSC1=NCCS1

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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