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320423-88-9 | 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6,1-benzothiazine-3-carbothioamide
CAS No: 320423-88-9 Catalog No: AG00IQJG MDL No:MFCD01569188
Product Description
Catalog Number:
AG00IQJG
Chemical Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1H-2lambda6,1-benzothiazine-3-carbothioamide
CAS Number:
320423-88-9
Molecular Formula:
C16H14N2O3S2
Molecular Weight:
346.4240
MDL Number:
MFCD01569188
IUPAC Name:
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carbothioamide
InChI:
InChI=1S/C16H14N2O3S2/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,20)21)16(22)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,22)
InChI Key:
AFYAZUJOYKGCKI-UHFFFAOYSA-N
SMILES:
S=C(C1=C(O)c2ccccc2N(S1(=O)=O)C)Nc1ccccc1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.419g/mol
Monoisotopic Mass:
346.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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