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100134-69-8

100134-69-8 | 2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(4-methoxyphenyl)ethyl]-

CAS No: 100134-69-8 Catalog No: AG000129 MDL No:

Product Description

Catalog Number:
AG000129
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(4-methoxyphenyl)ethyl]-
CAS Number:
100134-69-8
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
IUPAC Name:
3-[2-(4-methoxyphenyl)ethyl]-1H-imidazole-2-thione
InChI:
InChI=1S/C12H14N2OS/c1-15-11-4-2-10(3-5-11)6-8-14-9-7-13-12(14)16/h2-5,7,9H,6,8H2,1H3,(H,13,16)
InChI Key:
HLGQEPDUWMDPKD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCn1cc[nH]c1=S

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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