1-[[(E)-prop-1-enyl]disulfanyl]propane

C6H12S2 — CID 5320722

IUPAC1-[[(E)-prop-1-enyl]disulfanyl]propane
SMILESC/C=C/SSCCC
InChIInChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyAAPBYIVJOWCMGH-HWKANZROSA-N
MW148.30 g/mol
LogP3.31
Rot. Bonds4

About 1-[[(E)-prop-1-enyl]disulfanyl]propane

1-[[(E)-prop-1-enyl]disulfanyl]propane (PubChem CID 5320722) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 1-[[(E)-prop-1-enyl]disulfanyl]propane.

Molecular Properties

Compound Name1-[[(E)-prop-1-enyl]disulfanyl]propane
PubChem CID5320722
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name1-[[(E)-prop-1-enyl]disulfanyl]propane
SMILESC/C=C/SSCCC
InChIInChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyAAPBYIVJOWCMGH-HWKANZROSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-prop-1-enyl]disulfanyl]propane?
The IUPAC name of 1-[[(E)-prop-1-enyl]disulfanyl]propane (CID 5320722) is 1-[[(E)-prop-1-enyl]disulfanyl]propane.
What is the SMILES notation for 1-[[(E)-prop-1-enyl]disulfanyl]propane?
The canonical SMILES for 1-[[(E)-prop-1-enyl]disulfanyl]propane is C/C=C/SSCCC.
What is the InChIKey of 1-[[(E)-prop-1-enyl]disulfanyl]propane?
The InChIKey is AAPBYIVJOWCMGH-HWKANZROSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of 1-[[(E)-prop-1-enyl]disulfanyl]propane?
1-[[(E)-prop-1-enyl]disulfanyl]propane has a molecular weight of 148.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-prop-1-enyl]disulfanyl]propane is sourced from PubChem (CID 5320722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).