ethane;ethene;methanethiol;propane

C26H76S4 — CID 157063512

IUPACethane;ethene;methanethiol;propane
SMILESC=C.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CS.CS.CS.CS
InChIInChI=1S/4C3H8.4C2H6.C2H4.4CH4S/c4*1-3-2;9*1-2/h4*3H2,1-2H3;4*1-2H3;1-2H2;4*2H,1H3
InChIKeyABPHJGZTXMLEJD-UHFFFAOYSA-N
MW517.16 g/mol
LogP12.76
Rot. Bonds

About ethane;ethene;methanethiol;propane

ethane;ethene;methanethiol;propane (PubChem CID 157063512) has the molecular formula C26H76S4 and a molecular weight of 517.16 g/mol. Its IUPAC name is ethane;ethene;methanethiol;propane.

Molecular Properties

Compound Nameethane;ethene;methanethiol;propane
PubChem CID157063512
Molecular FormulaC26H76S4
Molecular Weight517.16 g/mol
Exact Mass516.48
IUPAC Nameethane;ethene;methanethiol;propane
SMILESC=C.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CS.CS.CS.CS
InChIInChI=1S/4C3H8.4C2H6.C2H4.4CH4S/c4*1-3-2;9*1-2/h4*3H2,1-2H3;4*1-2H3;1-2H2;4*2H,1H3
InChIKeyABPHJGZTXMLEJD-UHFFFAOYSA-N
XLogP12.76
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.16
LogP ≤ 512.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;methanethiol;propane?
The IUPAC name of ethane;ethene;methanethiol;propane (CID 157063512) is ethane;ethene;methanethiol;propane.
What is the SMILES notation for ethane;ethene;methanethiol;propane?
The canonical SMILES for ethane;ethene;methanethiol;propane is C=C.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CS.CS.CS.CS.
What is the InChIKey of ethane;ethene;methanethiol;propane?
The InChIKey is ABPHJGZTXMLEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H8.4C2H6.C2H4.4CH4S/c4*1-3-2;9*1-2/h4*3H2,1-2H3;4*1-2H3;1-2H2;4*2H,1H3.
What are the key properties of ethane;ethene;methanethiol;propane?
ethane;ethene;methanethiol;propane has a molecular weight of 517.16 g/mol, XLogP of 12.76, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methanethiol;propane is sourced from PubChem (CID 157063512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).