disulfanylethane;propane

C5H14S2 — CID 158572764

IUPACdisulfanylethane;propane
SMILESCCC.CCSS
InChIInChI=1S/C3H8.C2H6S2/c1-3-2;1-2-4-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyHSHDJCLYCBLVJY-UHFFFAOYSA-N
MW138.30 g/mol
LogP3.00
Rot. Bonds1

About disulfanylethane;propane

disulfanylethane;propane (PubChem CID 158572764) has the molecular formula C5H14S2 and a molecular weight of 138.30 g/mol. Its IUPAC name is disulfanylethane;propane.

Molecular Properties

Compound Namedisulfanylethane;propane
PubChem CID158572764
Molecular FormulaC5H14S2
Molecular Weight138.30 g/mol
Exact Mass138.05
IUPAC Namedisulfanylethane;propane
SMILESCCC.CCSS
InChIInChI=1S/C3H8.C2H6S2/c1-3-2;1-2-4-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyHSHDJCLYCBLVJY-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174917305
propane trihydroxide
CID 18172989
propane;ruthenium
CID 161061794
copper;propane
CID 159395647
methane;propane
CID 162082112
CID 159053021
CID 159053021
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CID 18410128
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methane;propane
CID 160994941

Frequently Asked Questions

What is the IUPAC name of disulfanylethane;propane?
The IUPAC name of disulfanylethane;propane (CID 158572764) is disulfanylethane;propane.
What is the SMILES notation for disulfanylethane;propane?
The canonical SMILES for disulfanylethane;propane is CCC.CCSS.
What is the InChIKey of disulfanylethane;propane?
The InChIKey is HSHDJCLYCBLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6S2/c1-3-2;1-2-4-3/h3H2,1-2H3;3H,2H2,1H3.
What are the key properties of disulfanylethane;propane?
disulfanylethane;propane has a molecular weight of 138.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylethane;propane is sourced from PubChem (CID 158572764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).