1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride

C7H11ClO4S2 — CID 117266543

IUPAC1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCCS1(=O)=O)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-4-2-3-5-13(7,9)10/h7H,1-5H2
InChIKeyFVWFGMKOAPKTTJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.04
Rot. Bonds2

About 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride

1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride (PubChem CID 117266543) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
PubChem CID117266543
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCCS1(=O)=O)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-4-2-3-5-13(7,9)10/h7H,1-5H2
InChIKeyFVWFGMKOAPKTTJ-UHFFFAOYSA-N
XLogP1.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylidenethiane 1,1-dioxide
CID 10057630
5-Propyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
CID 13651847
2,3,7,7a-Tetrahydrothieno[3,4-b][1,4]dithiine 1,1,4,4,6,6-hexaoxide
CID 14416615
3-Methylidenethiane 1,1-dioxide
CID 64664055
3,5-Dimethylidenethiane 1,1-dioxide
CID 86205641
(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
CID 117265899
(Z)-2-(thian-2-yl)ethenesulfonyl chloride
CID 117265900
(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265906
(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265913
(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265914
1-(1,1-Dioxothian-4-yl)ethenesulfonyl chloride
CID 117266508
1-(Thian-4-yl)ethenesulfonyl chloride
CID 117266509

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride (CID 117266543) is 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride is C=C(C1CCCCS1(=O)=O)S(=O)(=O)Cl.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The InChIKey is FVWFGMKOAPKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-4-2-3-5-13(7,9)10/h7H,1-5H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).