ethane;2-prop-1-en-2-yl-1,3-dithiolane

C8H16S2 — CID 154644686

IUPACethane;2-prop-1-en-2-yl-1,3-dithiolane
SMILESC=C(C)C1SCCS1.CC
InChIInChI=1S/C6H10S2.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h6H,1,3-4H2,2H3;1-2H3
InChIKeyJCRDRDSQRPNNRC-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.39
Rot. Bonds1

About ethane;2-prop-1-en-2-yl-1,3-dithiolane

ethane;2-prop-1-en-2-yl-1,3-dithiolane (PubChem CID 154644686) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is ethane;2-prop-1-en-2-yl-1,3-dithiolane.

Molecular Properties

Compound Nameethane;2-prop-1-en-2-yl-1,3-dithiolane
PubChem CID154644686
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Nameethane;2-prop-1-en-2-yl-1,3-dithiolane
SMILESC=C(C)C1SCCS1.CC
InChIInChI=1S/C6H10S2.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h6H,1,3-4H2,2H3;1-2H3
InChIKeyJCRDRDSQRPNNRC-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1,3-dithiolane
CID 118182214
2-[(Z)-but-2-en-2-yl]-1,3-dithiane
CID 21160312
(2S)-2-prop-1-en-2-ylthiolane
CID 643413
ethane;2-methyl-1,3-dithiolane
CID 142062825
ethane;tris(2-methylprop-1-ene)
CID 144520420
CID 162266797
CID 162266797
2-methyl-1-(3-methyl-1,4-dithian-2-yl)prop-2-en-1-amine
CID 115386598
N-propan-2-yl-1,3-dithiolane-2-carboxamide
CID 130718752
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
1-[2-(1,3-dithiolan-2-ylmethylsulfanyl)ethoxy]-2-methylprop-2-en-1-ol
CID 167045982
1-O-[1-(1,3-dithiolan-2-yl)ethenyl] 3-O-propan-2-yl 2-propan-2-ylpropanedioate
CID 174633649
1,4-dithian-2-yl 2-methylprop-2-enoate
CID 59157299

Frequently Asked Questions

What is the IUPAC name of ethane;2-prop-1-en-2-yl-1,3-dithiolane?
The IUPAC name of ethane;2-prop-1-en-2-yl-1,3-dithiolane (CID 154644686) is ethane;2-prop-1-en-2-yl-1,3-dithiolane.
What is the SMILES notation for ethane;2-prop-1-en-2-yl-1,3-dithiolane?
The canonical SMILES for ethane;2-prop-1-en-2-yl-1,3-dithiolane is C=C(C)C1SCCS1.CC.
What is the InChIKey of ethane;2-prop-1-en-2-yl-1,3-dithiolane?
The InChIKey is JCRDRDSQRPNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h6H,1,3-4H2,2H3;1-2H3.
What are the key properties of ethane;2-prop-1-en-2-yl-1,3-dithiolane?
ethane;2-prop-1-en-2-yl-1,3-dithiolane has a molecular weight of 176.35 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-prop-1-en-2-yl-1,3-dithiolane is sourced from PubChem (CID 154644686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).