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320423-77-6 | 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CAS No: 320423-77-6 Catalog No: AG00IQIM MDL No:MFCD01569120
Product Description
Catalog Number:
AG00IQIM
Chemical Name:
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CAS Number:
320423-77-6
Molecular Formula:
C15H14N2O3S3
Molecular Weight:
366.4783
MDL Number:
MFCD01569120
IUPAC Name:
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carbothioamide
InChI:
InChI=1S/C15H14N2O3S3/c1-9-3-5-10(6-4-9)16-15(21)14-12(18)13-11(7-8-22-13)17(2)23(14,19)20/h3-8,18H,1-2H3,(H,16,21)
InChI Key:
CPBWOESEAOCFJW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=S)C1=C(O)c2sccc2N(S1(=O)=O)C
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.017g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.468g/mol
Monoisotopic Mass:
366.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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