1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane

C9H16S5 — CID 6429004

IUPAC1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane
SMILESC=CCSCC(C)SSSSCC=C
InChIInChI=1S/C9H16S5/c1-4-6-10-8-9(3)12-14-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyNGDHBSGNCAGFLV-UHFFFAOYSA-N
MW284.56 g/mol
LogP5.16
Rot. Bonds10

About 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane

1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane (PubChem CID 6429004) has the molecular formula C9H16S5 and a molecular weight of 284.56 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane.

Molecular Properties

Compound Name1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane
PubChem CID6429004
Molecular FormulaC9H16S5
Molecular Weight284.56 g/mol
Exact Mass283.99
IUPAC Name1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane
SMILESC=CCSCC(C)SSSSCC=C
InChIInChI=1S/C9H16S5/c1-4-6-10-8-9(3)12-14-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyNGDHBSGNCAGFLV-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane?
The IUPAC name of 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane (CID 6429004) is 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane.
What is the SMILES notation for 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane?
The canonical SMILES for 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane is C=CCSCC(C)SSSSCC=C.
What is the InChIKey of 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane?
The InChIKey is NGDHBSGNCAGFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S5/c1-4-6-10-8-9(3)12-14-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane?
1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane has a molecular weight of 284.56 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyl-2-(prop-2-enyltetrasulfanyl)propane is sourced from PubChem (CID 6429004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).