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137092-55-8 | 4H-3,1-Benzothiazine, 2-(1,1-dimethylethyl)-
CAS No: 137092-55-8 Catalog No: AG00705M MDL No:
Product Description
Catalog Number:
AG00705M
Chemical Name:
4H-3,1-Benzothiazine, 2-(1,1-dimethylethyl)-
CAS Number:
137092-55-8
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
IUPAC Name:
2-tert-butyl-4H-3,1-benzothiazine
InChI:
InChI=1S/C12H15NS/c1-12(2,3)11-13-10-7-5-4-6-9(10)8-14-11/h4-7H,8H2,1-3H3
InChI Key:
LUIJEYKFJSBYBK-UHFFFAOYSA-N
SMILES:
CC(C1=Nc2c(CS1)cccc2)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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