lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid

C76H87BrCl18LiN9NaO35PS16 — CID 165057816

About lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid

lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid (PubChem CID 165057816) has the molecular formula C76H87BrCl18LiN9NaO35PS16 and a molecular weight of 2978.59 g/mol. Its IUPAC name is lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid.

Molecular Properties

• Compound Name: lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid
• PubChem CID: 165057816
• Molecular Formula: C76H87BrCl18LiN9NaO35PS16
• Molecular Weight: 2978.59 g/mol
• Exact Mass: 2966.42
• IUPAC Name: lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid
• SMILES: CCS(=O)(=O)c1cc(Cl)sc1C(=O)O.CCS(=O)(=O)c1cc(Cl)sc1C(=O)OC.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CNS(=O)c1cc(Cl)sc1Cl.CO.COC(=O)C1=C(O)c2sc(Cl)cc2S(=O)(=O)N1C.COC(=O)CBr.COC(=O)CN(C)S(=O)(=O)c1cc(Cl)sc1C(=O)OC.C[O-].ClP(Cl)(Cl)(Cl)Cl.Clc1ccc(Cl)s1.Nc1ccccn1.O=C=O.O=S(=O)(Cl)c1cc(Cl)sc1Cl.O=S(=O)(O)Cl.[CH2-]CCC.[Li+].[Na+]
• InChI: InChI=1S/C13H10ClN3O4S2.C10H12ClNO6S2.C9H8ClNO5S2.C8H9ClO4S2.C7H7ClO4S2.C5H5Cl2NOS2.C5H6N2.C4HCl3O2S2.C4H2Cl2S.C4H9.C3H5BrO2.CH5N.CO2.CH4O.CH3O.Cl5P.ClHO3S.Li.Na/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12;1-12(5-8(13)17-2)20(15,16)6-4-7(11)19-9(6)10(14)18-3;1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8;1-3-15(11,12)5-4-6(9)14-7(5)8(10)13-2;1-2-14(11,12)4-3-5(8)13-6(4)7(9)10;1-8-11(9)3-2-4(6)10-5(3)7;6-5-3-1-2-4-7-5;5-3-1-2(4(6)10-3)11(7,8)9;5-3-1-2-4(6)7-3;1-3-4-2;1-6-3(5)2-4;1-2;2-1-3;2*1-2;1-6(2,3,4)5;1-5(2,3)4;;/h2-6,18H,1H3,(H,15,16,19);4H,5H2,1-3H3;3,12H,1-2H3;4H,3H2,1-2H3;3H,2H2,1H3,(H,9,10);2,8H,1H3;1-4H,(H2,6,7);1H;1-2H;1,3-4H2,2H3;2H2,1H3;2H2,1H3;;2H,1H3;1H3;;(H,2,3,4);;/q;;;;;;;;;-1;;;;;-1;;;2*+1
• InChIKey: OLDZNCVYADYRQX-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 691.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2978.59
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid?

The IUPAC name of lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid (CID 165057816) is lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid.

What is the SMILES notation for lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid?

The canonical SMILES for lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid is CCS(=O)(=O)c1cc(Cl)sc1C(=O)O.CCS(=O)(=O)c1cc(Cl)sc1C(=O)OC.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CNS(=O)c1cc(Cl)sc1Cl.CO.COC(=O)C1=C(O)c2sc(Cl)cc2S(=O)(=O)N1C.COC(=O)CBr.COC(=O)CN(C)S(=O)(=O)c1cc(Cl)sc1C(=O)OC.C[O-].ClP(Cl)(Cl)(Cl)Cl.Clc1ccc(Cl)s1.Nc1ccccn1.O=C=O.O=S(=O)(Cl)c1cc(Cl)sc1Cl.O=S(=O)(O)Cl.[CH2-]CCC.[Li+].[Na+].

What is the InChIKey of lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid?

The InChIKey is OLDZNCVYADYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S2.C10H12ClNO6S2.C9H8ClNO5S2.C8H9ClO4S2.C7H7ClO4S2.C5H5Cl2NOS2.C5H6N2.C4HCl3O2S2.C4H2Cl2S.C4H9.C3H5BrO2.CH5N.CO2.CH4O.CH3O.Cl5P.ClHO3S.Li.Na/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12;1-12(5-8(13)17-2)20(15,16)6-4-7(11)19-9(6)10(14)18-3;1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8;1-3-15(11,12)5-4-6(9)14-7(5)8(10)13-2;1-2-14(11,12)4-3-5(8)13-6(4)7(9)10;1-8-11(9)3-2-4(6)10-5(3)7;6-5-3-1-2-4-7-5;5-3-1-2(4(6)10-3)11(7,8)9;5-3-1-2-4(6)7-3;1-3-4-2;1-6-3(5)2-4;1-2;2-1-3;2*1-2;1-6(2,3,4)5;1-5(2,3)4;;/h2-6,18H,1H3,(H,15,16,19);4H,5H2,1-3H3;3,12H,1-2H3;4H,3H2,1-2H3;3H,2H2,1H3,(H,9,10);2,8H,1H3;1-4H,(H2,6,7);1H;1-2H;1,3-4H2,2H3;2H2,1H3;2H2,1H3;;2H,1H3;1H3;;(H,2,3,4);;/q;;;;;;;;;-1;;;;;-1;;;2*+1.

What are the key properties of lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid?

lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid has a molecular weight of 2978.59 g/mol, XLogP of 15.68, 19 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-λ5-phosphane;pyridin-2-amine;sulfurochloridic acid is sourced from PubChem (CID 165057816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).