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

C8H13ClO2S2 — CID 117265914

IUPAC(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCCS1
InChIInChI=1S/C8H13ClO2S2/c9-13(10,11)7-3-5-8-4-1-2-6-12-8/h3,7-8H,1-2,4-6H2/b7-3-
InChIKeyNIJPPWMUVPNFDJ-CLTKARDFSA-N
MW240.78 g/mol
LogP2.74
Rot. Bonds3

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

(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265914) has the molecular formula C8H13ClO2S2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265914
Molecular FormulaC8H13ClO2S2
Molecular Weight240.78 g/mol
Exact Mass240.00
IUPAC Name(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCCS1
InChIInChI=1S/C8H13ClO2S2/c9-13(10,11)7-3-5-8-4-1-2-6-12-8/h3,7-8H,1-2,4-6H2/b7-3-
InChIKeyNIJPPWMUVPNFDJ-CLTKARDFSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oct-7-enylsulfonylcyclohexane
CID 23466848
2-Prop-2-enylthiane 1-oxide
CID 70020393
2-Prop-2-enylthiane 1,1-dioxide;hydrate
CID 70020504
2-Prop-2-enylthiane 1,1-dioxide
CID 70020505
(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265880
(Z)-2-(1,1-dioxothian-2-yl)ethenesulfonyl chloride
CID 117265899
(Z)-2-(thian-2-yl)ethenesulfonyl chloride
CID 117265900
(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-3-yl)prop-1-ene-1-sulfonyl chloride
CID 117265921
1-(1,1-Dioxothian-2-yl)ethenesulfonyl chloride
CID 117266543
1-(Thian-2-yl)ethenesulfonyl chloride
CID 117266544

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride (CID 117265914) is (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCCCS1.
What is the InChIKey of (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is NIJPPWMUVPNFDJ-CLTKARDFSA-N. The full InChI is InChI=1S/C8H13ClO2S2/c9-13(10,11)7-3-5-8-4-1-2-6-12-8/h3,7-8H,1-2,4-6H2/b7-3-.
What are the key properties of (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 240.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(thian-2-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).