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87904-90-3

87904-90-3 | 2H-1,4-Thiazin-3(4H)-one, 2-(4-hydroxyphenyl)-4-(1-methylethyl)-

CAS No: 87904-90-3 Catalog No: AG004E01 MDL No:

Product Description

Catalog Number:
AG004E01
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 2-(4-hydroxyphenyl)-4-(1-methylethyl)-
CAS Number:
87904-90-3
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
2-(4-hydroxyphenyl)-4-propan-2-yl-1,4-thiazin-3-one
InChI:
InChI=1S/C13H15NO2S/c1-9(2)14-7-8-17-12(13(14)16)10-3-5-11(15)6-4-10/h3-9,12,15H,1-2H3
InChI Key:
KTOKZOCRLQNEPQ-UHFFFAOYSA-N
SMILES:
CC(N1C=CSC(C1=O)c1ccc(cc1)O)C

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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