1-(thian-4-yl)ethenesulfonyl chloride

C7H11ClO2S2 — CID 117266509

IUPAC1-(thian-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCSCC1)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO2S2/c1-6(12(8,9)10)7-2-4-11-5-3-7/h7H,1-5H2
InChIKeyZNTZKRWNXKXSJG-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.21
Rot. Bonds2

About 1-(thian-4-yl)ethenesulfonyl chloride

1-(thian-4-yl)ethenesulfonyl chloride (PubChem CID 117266509) has the molecular formula C7H11ClO2S2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(thian-4-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(thian-4-yl)ethenesulfonyl chloride
PubChem CID117266509
Molecular FormulaC7H11ClO2S2
Molecular Weight226.75 g/mol
Exact Mass225.99
IUPAC Name1-(thian-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCSCC1)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO2S2/c1-6(12(8,9)10)7-2-4-11-5-3-7/h7H,1-5H2
InChIKeyZNTZKRWNXKXSJG-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylidenethiane 1,1-dioxide
CID 10057630
4-Ethenylthiane 1,1-dioxide
CID 89424204
4-Prop-1-en-2-ylthiane 1,1-dioxide
CID 89476824
3-Ethenylthiane 1,1-dioxide
CID 170415811
3-Methylidenethiane 1,1-dioxide
CID 64664055
3,5-Dimethylidenethiane 1,1-dioxide
CID 86205641
(E)-3-(thian-4-yl)prop-2-ene-1-sulfonyl chloride
CID 115044013
(E)-3-(1,1-dioxothian-4-yl)prop-2-ene-1-sulfonyl chloride
CID 115050702
(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
CID 117265865
(Z)-2-(thian-4-yl)ethenesulfonyl chloride
CID 117265866
(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265879
(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265880

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(thian-4-yl)ethenesulfonyl chloride (CID 117266509) is 1-(thian-4-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(thian-4-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(thian-4-yl)ethenesulfonyl chloride is C=C(C1CCSCC1)S(=O)(=O)Cl.
What is the InChIKey of 1-(thian-4-yl)ethenesulfonyl chloride?
The InChIKey is ZNTZKRWNXKXSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2S2/c1-6(12(8,9)10)7-2-4-11-5-3-7/h7H,1-5H2.
What are the key properties of 1-(thian-4-yl)ethenesulfonyl chloride?
1-(thian-4-yl)ethenesulfonyl chloride has a molecular weight of 226.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).