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860785-64-4

860785-64-4 | 2-{[4-(4-methanesulfonylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol

CAS No: 860785-64-4 Catalog No: AG00IQNN MDL No:MFCD04124541

Product Description

Catalog Number:
AG00IQNN
Chemical Name:
2-{[4-(4-methanesulfonylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CAS Number:
860785-64-4
Molecular Formula:
C14H12N2O3S3
Molecular Weight:
352.4517
MDL Number:
MFCD04124541
IUPAC Name:
2-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
InChI:
InChI=1S/C14H12N2O3S3/c1-22(18,19)10-4-2-9(3-5-10)11-7-20-13(15-11)6-14-16-12(17)8-21-14/h2-5,7-8,17H,6H2,1H3
InChI Key:
RWDCBCBLBJLQKL-UHFFFAOYSA-N
SMILES:
Oc1csc(n1)Cc1scc(n1)c1ccc(cc1)S(=O)(=O)C

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.001g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.441g/mol
Monoisotopic Mass:
352.001g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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