Home Other Building Blocks 2-[4-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]acetic acid

2-[4-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]acetic acid

CAS No.:
554407-96-4
Catalog Number:
AG019J1L
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
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Product Description
Catalog Number:
AG019J1L
Chemical Name:
2-[4-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]acetic acid
CAS Number:
554407-96-4
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
IUPAC Name:
2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
InChI:
InChI=1S/C12H11NO2S2/c1-8-2-4-9(5-3-8)10-7-17-12(16)13(10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
SWOREMOVUSWJRL-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(=S)scc1c1ccc(cc1)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties