benzene;ethyl ethanedithioate;methane;propane

C14H26S2 — CID 160757498

IUPACbenzene;ethyl ethanedithioate;methane;propane
SMILESC.CCC.CCSC(C)=S.c1ccccc1
InChIInChI=1S/C6H6.C4H8S2.C3H8.CH4/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-3-2;/h1-6H;3H2,1-2H3;3H2,1-2H3;1H4
InChIKeyRXPWUGIOAGCXET-UHFFFAOYSA-N
MW258.50 g/mol
LogP5.83
Rot. Bonds1

About benzene;ethyl ethanedithioate;methane;propane

benzene;ethyl ethanedithioate;methane;propane (PubChem CID 160757498) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is benzene;ethyl ethanedithioate;methane;propane.

Molecular Properties

Compound Namebenzene;ethyl ethanedithioate;methane;propane
PubChem CID160757498
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Namebenzene;ethyl ethanedithioate;methane;propane
SMILESC.CCC.CCSC(C)=S.c1ccccc1
InChIInChI=1S/C6H6.C4H8S2.C3H8.CH4/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-3-2;/h1-6H;3H2,1-2H3;3H2,1-2H3;1H4
InChIKeyRXPWUGIOAGCXET-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl ethanedithioate;methane;propane?
The IUPAC name of benzene;ethyl ethanedithioate;methane;propane (CID 160757498) is benzene;ethyl ethanedithioate;methane;propane.
What is the SMILES notation for benzene;ethyl ethanedithioate;methane;propane?
The canonical SMILES for benzene;ethyl ethanedithioate;methane;propane is C.CCC.CCSC(C)=S.c1ccccc1.
What is the InChIKey of benzene;ethyl ethanedithioate;methane;propane?
The InChIKey is RXPWUGIOAGCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H8S2.C3H8.CH4/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-3-2;/h1-6H;3H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of benzene;ethyl ethanedithioate;methane;propane?
benzene;ethyl ethanedithioate;methane;propane has a molecular weight of 258.50 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl ethanedithioate;methane;propane is sourced from PubChem (CID 160757498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).