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Home > Thiazole > 1291832-37-5
1291832-37-5 | 4-(4-methylphenyl)-4H-1,4-benzothiazine-2-carbonitrile 1,1-dioxide
CAS No: 1291832-37-5 Catalog No: AG00HRXD MDL No:MFCD18788900
Product Description
Catalog Number:
AG00HRXD
Chemical Name:
4-(4-methylphenyl)-4H-1,4-benzothiazine-2-carbonitrile 1,1-dioxide
CAS Number:
1291832-37-5
Molecular Formula:
C16H12N2O2S
Molecular Weight:
296.3437
MDL Number:
MFCD18788900
IUPAC Name:
4-(4-methylphenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile
InChI:
InChI=1S/C16H12N2O2S/c1-12-6-8-13(9-7-12)18-11-14(10-17)21(19,20)16-5-3-2-4-15(16)18/h2-9,11H,1H3
InChI Key:
SBXSVYJWWUHTEP-UHFFFAOYSA-N
SMILES:
N#CC1=CN(c2ccc(cc2)C)c2c(S1(=O)=O)cccc2
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.344g/mol
Monoisotopic Mass:
296.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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