(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene

C6H10S3 — CID 5352793

IUPAC(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene
SMILESC/C=C/SSS/C=C/C
InChIInChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyRWAJLLGQYHTAMT-GGWOSOGESA-N
MW178.35 g/mol
LogP4.08
Rot. Bonds4

About (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene

(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene (PubChem CID 5352793) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene.

Molecular Properties

Compound Name(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene
PubChem CID5352793
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Name(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene
SMILESC/C=C/SSS/C=C/C
InChIInChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyRWAJLLGQYHTAMT-GGWOSOGESA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene?
The IUPAC name of (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene (CID 5352793) is (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene.
What is the SMILES notation for (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene?
The canonical SMILES for (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene is C/C=C/SSS/C=C/C.
What is the InChIKey of (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene?
The InChIKey is RWAJLLGQYHTAMT-GGWOSOGESA-N. The full InChI is InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene?
(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene has a molecular weight of 178.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene is sourced from PubChem (CID 5352793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).