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Home > Thiazole > 1311315-66-8
1311315-66-8 | 1-{[2-(2-methylphenyl)-1,3-thiazol-4-yl]sulfonyl}piperazine
CAS No: 1311315-66-8 Catalog No: AG01AIDH MDL No:MFCD18917278
Product Description
Catalog Number:
AG01AIDH
Chemical Name:
1-{[2-(2-methylphenyl)-1,3-thiazol-4-yl]sulfonyl}piperazine
CAS Number:
1311315-66-8
Molecular Formula:
C14H17N3O2S2
Molecular Weight:
323.4337
MDL Number:
MFCD18917278
IUPAC Name:
2-(2-methylphenyl)-4-piperazin-1-ylsulfonyl-1,3-thiazole
InChI:
InChI=1S/C14H17N3O2S2/c1-11-4-2-3-5-12(11)14-16-13(10-20-14)21(18,19)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChI Key:
SSFXJODVKPXICW-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1scc(n1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.429g/mol
Monoisotopic Mass:
323.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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