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

C7H11ClO4S2 — CID 117265899

IUPAC(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCCS1(=O)=O
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-4-7-3-1-2-5-13(7,9)10/h4,6-7H,1-3,5H2/b6-4-
InChIKeyALCRODXDUINIRB-XQRVVYSFSA-N
MW258.75 g/mol
LogP1.04
Rot. Bonds2

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

(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride (PubChem CID 117265899) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
PubChem CID117265899
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCCS1(=O)=O
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-4-7-3-1-2-5-13(7,9)10/h4,6-7H,1-3,5H2/b6-4-
InChIKeyALCRODXDUINIRB-XQRVVYSFSA-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
2-Prop-2-enylthiane 1,1-dioxide
CID 70020505
(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
CID 117265865
(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265879
(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride
CID 117265892
(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-(thiolan-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265907
(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
(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride
CID 117265920
1-(1,1-Dioxothian-2-yl)ethenesulfonyl chloride
CID 117266543

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride (CID 117265899) is (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C\C1CCCCS1(=O)=O.
What is the InChIKey of (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
The InChIKey is ALCRODXDUINIRB-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11ClO4S2/c8-14(11,12)6-4-7-3-1-2-5-13(7,9)10/h4,6-7H,1-3,5H2/b6-4-.
What are the key properties of (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride?
(Z)-2-(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 (Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).