benzene;ethene;sulfane

C8H14S2 — CID 174360698

IUPACbenzene;ethene;sulfane
SMILESC=C.S.S.c1ccccc1
InChIInChI=1S/C6H6.C2H4.2H2S/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2
InChIKeyKGOIVBUKRBKHIU-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.71
Rot. Bonds

About benzene;ethene;sulfane

benzene;ethene;sulfane (PubChem CID 174360698) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is benzene;ethene;sulfane.

Molecular Properties

Compound Namebenzene;ethene;sulfane
PubChem CID174360698
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Namebenzene;ethene;sulfane
SMILESC=C.S.S.c1ccccc1
InChIInChI=1S/C6H6.C2H4.2H2S/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2
InChIKeyKGOIVBUKRBKHIU-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;ethene;sulfane?
The IUPAC name of benzene;ethene;sulfane (CID 174360698) is benzene;ethene;sulfane.
What is the SMILES notation for benzene;ethene;sulfane?
The canonical SMILES for benzene;ethene;sulfane is C=C.S.S.c1ccccc1.
What is the InChIKey of benzene;ethene;sulfane?
The InChIKey is KGOIVBUKRBKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H4.2H2S/c1-2-4-6-5-3-1;1-2;;/h1-6H;1-2H2;2*1H2.
What are the key properties of benzene;ethene;sulfane?
benzene;ethene;sulfane has a molecular weight of 174.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethene;sulfane is sourced from PubChem (CID 174360698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).