(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride

C7H11ClO4S2 — CID 117265906

IUPAC(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCS1(=O)=O
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-2-4-7-3-1-5-13(7,9)10/h2,6-7H,1,3-5H2/b6-2-
InChIKeyQZJBBRMGKFJLAD-KXFIGUGUSA-N
MW258.75 g/mol
LogP1.04
Rot. Bonds3

About (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride

(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265906) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265906
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCS1(=O)=O
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-2-4-7-3-1-5-13(7,9)10/h2,6-7H,1,3-5H2/b6-2-
InChIKeyQZJBBRMGKFJLAD-KXFIGUGUSA-N
XLogP1.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

2,5-Diethenyl-1lambda~6~-thiolane-1,1-dione
CID 12634220
cis-2,5-Divinylsulfolane
CID 23272235
(2S)-2-prop-2-enylthiolane 1-oxide
CID 101666748
(2R)-2-prop-2-enylthiolane 1-oxide
CID 101666749
trans-2,5-Divinylsulfolane
CID 129790691
2-Hexa-4,5-dienyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 135045396
1,1-Dioxo-2-prop-2-enylthiolane-3-thiol
CID 19020375
2-Prop-2-enylthiolane 1,1-dioxide
CID 54147349
2-Ethenylthiolane 1,1-dioxide
CID 57810821
2-Prop-2-enylthiolane 1-oxide
CID 69590418
4-Ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 87303044
1-(Thiolan-2-yl)prop-2-ene-1-sulfonic acid
CID 175129907

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride (CID 117265906) is (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCCS1(=O)=O.
What is the InChIKey of (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is QZJBBRMGKFJLAD-KXFIGUGUSA-N. The full InChI is InChI=1S/C7H11ClO4S2/c8-14(11,12)6-2-4-7-3-1-5-13(7,9)10/h2,6-7H,1,3-5H2/b6-2-.
What are the key properties of (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,1-dioxothiolan-2-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).