sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride

C73H109Cl3N2NaO26S9- — CID 159243353

About sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride

sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride (PubChem CID 159243353) has the molecular formula C73H109Cl3N2NaO26S9- and a molecular weight of 1848.61 g/mol. Its IUPAC name is sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride.

Molecular Properties

• Compound Name: sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride
• PubChem CID: 159243353
• Molecular Formula: C73H109Cl3N2NaO26S9-
• Molecular Weight: 1848.61 g/mol
• Exact Mass: 1845.37
• IUPAC Name: sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride
• SMILES: C.C=S1(=O)CCOCC1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.ClCc1ccccc1.N.NS(=O)(=O)CCO.O=S(=O)([O-])CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(Cl)Cl.[Na+]
• InChI: InChI=1S/4C10H14O3S.2C9H12O4S.C7H7Cl.C5H10O2S.C2H7NO3S.CH4.Cl2OS.H3N.Na/c4*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;2*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;1-8(6)4-2-7-3-5-8;3-7(5,6)2-1-4;;1-4(2)3;;/h4*2-6H,7-9H2,1H3;2*1-5H,6-8H2,(H,10,11,12);1-5H,6H2;1-5H2;4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;+1/p-2
• InChIKey: IHRDXIVMOYMWAP-UHFFFAOYSA-L
• XLogP: 5.76
• TPSA: 465.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.61
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride?

The IUPAC name of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride (CID 159243353) is sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride.

What is the SMILES notation for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride?

The canonical SMILES for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride is C.C=S1(=O)CCOCC1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.CS(=O)(=O)CCOCc1ccccc1.ClCc1ccccc1.N.NS(=O)(=O)CCO.O=S(=O)([O-])CCOCc1ccccc1.O=S(=O)([O-])CCOCc1ccccc1.O=S(Cl)Cl.[Na+].

What is the InChIKey of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride?

The InChIKey is IHRDXIVMOYMWAP-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H14O3S.2C9H12O4S.C7H7Cl.C5H10O2S.C2H7NO3S.CH4.Cl2OS.H3N.Na/c4*1-14(11,12)8-7-13-9-10-5-3-2-4-6-10;2*10-14(11,12)7-6-13-8-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;1-8(6)4-2-7-3-5-8;3-7(5,6)2-1-4;;1-4(2)3;;/h4*2-6H,7-9H2,1H3;2*1-5H,6-8H2,(H,10,11,12);1-5H,6H2;1-5H2;4H,1-2H2,(H2,3,5,6);1H4;;1H3;/q;;;;;;;;;;;;+1/p-2.

What are the key properties of sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride?

sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride has a molecular weight of 1848.61 g/mol, XLogP of 5.76, 33 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;chloromethylbenzene;2-hydroxyethanesulfonamide;methane;4-methylidene-1,4-oxathiane 4-oxide;tetrakis(2-methylsulfonylethoxymethylbenzene);bis(2-phenylmethoxyethanesulfonate);thionyl dichloride is sourced from PubChem (CID 159243353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).