2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride

C7H13ClO5S2 — CID 115051117

IUPAC2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13ClO5S2/c8-15(12,13)5-7(9)6-1-3-14(10,11)4-2-6/h6-7,9H,1-5H2
InChIKeyYSNCNRHYDUGXJP-UHFFFAOYSA-N
MW276.76 g/mol
LogP-0.26
Rot. Bonds3

About 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride

2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride (PubChem CID 115051117) has the molecular formula C7H13ClO5S2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
PubChem CID115051117
Molecular FormulaC7H13ClO5S2
Molecular Weight276.76 g/mol
Exact Mass275.99
IUPAC Name2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13ClO5S2/c8-15(12,13)5-7(9)6-1-3-14(10,11)4-2-6/h6-7,9H,1-5H2
InChIKeyYSNCNRHYDUGXJP-UHFFFAOYSA-N
XLogP-0.26
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride?
The IUPAC name of 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride (CID 115051117) is 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride.
What is the SMILES notation for 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride?
The canonical SMILES for 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride is O=S(=O)(Cl)CC(O)C1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride?
The InChIKey is YSNCNRHYDUGXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO5S2/c8-15(12,13)5-7(9)6-1-3-14(10,11)4-2-6/h6-7,9H,1-5H2.
What are the key properties of 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride?
2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride has a molecular weight of 276.76 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride is sourced from PubChem (CID 115051117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).