thianthrene-2,8-disulfonyl chloride

C12H6Cl2O4S4 — CID 19906721

IUPACthianthrene-2,8-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)Sc1cc(S(=O)(=O)Cl)ccc1S2
InChIInChI=1S/C12H6Cl2O4S4/c13-21(15,16)7-1-3-9-11(5-7)20-12-6-8(22(14,17)18)2-4-10(12)19-9/h1-6H
InChIKeyWVQPKQXNRWIXEI-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.16
Rot. Bonds2

About thianthrene-2,8-disulfonyl chloride

thianthrene-2,8-disulfonyl chloride (PubChem CID 19906721) has the molecular formula C12H6Cl2O4S4 and a molecular weight of 413.35 g/mol. Its IUPAC name is thianthrene-2,8-disulfonyl chloride.

Molecular Properties

Compound Namethianthrene-2,8-disulfonyl chloride
PubChem CID19906721
Molecular FormulaC12H6Cl2O4S4
Molecular Weight413.35 g/mol
Exact Mass411.85
IUPAC Namethianthrene-2,8-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)Sc1cc(S(=O)(=O)Cl)ccc1S2
InChIInChI=1S/C12H6Cl2O4S4/c13-21(15,16)7-1-3-9-11(5-7)20-12-6-8(22(14,17)18)2-4-10(12)19-9/h1-6H
InChIKeyWVQPKQXNRWIXEI-UHFFFAOYSA-N
XLogP4.16
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thianthrene-2,8-disulfonyl chloride?
The IUPAC name of thianthrene-2,8-disulfonyl chloride (CID 19906721) is thianthrene-2,8-disulfonyl chloride.
What is the SMILES notation for thianthrene-2,8-disulfonyl chloride?
The canonical SMILES for thianthrene-2,8-disulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)Sc1cc(S(=O)(=O)Cl)ccc1S2.
What is the InChIKey of thianthrene-2,8-disulfonyl chloride?
The InChIKey is WVQPKQXNRWIXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O4S4/c13-21(15,16)7-1-3-9-11(5-7)20-12-6-8(22(14,17)18)2-4-10(12)19-9/h1-6H.
What are the key properties of thianthrene-2,8-disulfonyl chloride?
thianthrene-2,8-disulfonyl chloride has a molecular weight of 413.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thianthrene-2,8-disulfonyl chloride is sourced from PubChem (CID 19906721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).