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70801-58-0 | 4H-1,4-Benzothiazine-2-carbonitrile, 3-phenyl-
CAS No: 70801-58-0 Catalog No: AG0064CP MDL No:
Product Description
Catalog Number:
AG0064CP
Chemical Name:
4H-1,4-Benzothiazine-2-carbonitrile, 3-phenyl-
CAS Number:
70801-58-0
Molecular Formula:
C15H10N2S
Molecular Weight:
250.3183
IUPAC Name:
3-phenyl-4H-1,4-benzothiazine-2-carbonitrile
InChI:
InChI=1S/C15H10N2S/c16-10-14-15(11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-14/h1-9,17H
InChI Key:
NDFSANYZYUURPZ-UHFFFAOYSA-N
SMILES:
N#CC1=C(Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.319g/mol
Monoisotopic Mass:
250.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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