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

C9H16S4 — CID 6429003

IUPAC1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane
SMILESC=CCSCC(C)SSSCC=C
InChIInChI=1S/C9H16S4/c1-4-6-10-8-9(3)12-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZYOACKSTGJDIHX-UHFFFAOYSA-N
MW252.49 g/mol
LogP4.51
Rot. Bonds9

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

1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane (PubChem CID 6429003) has the molecular formula C9H16S4 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane.

Molecular Properties

Compound Name1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane
PubChem CID6429003
Molecular FormulaC9H16S4
Molecular Weight252.49 g/mol
Exact Mass252.01
IUPAC Name1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane
SMILESC=CCSCC(C)SSSCC=C
InChIInChI=1S/C9H16S4/c1-4-6-10-8-9(3)12-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZYOACKSTGJDIHX-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-enyltrisulfanyl)propane?
The IUPAC name of 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane (CID 6429003) is 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane.
What is the SMILES notation for 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane?
The canonical SMILES for 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane is C=CCSCC(C)SSSCC=C.
What is the InChIKey of 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane?
The InChIKey is ZYOACKSTGJDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S4/c1-4-6-10-8-9(3)12-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane?
1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane has a molecular weight of 252.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyl-2-(prop-2-enyltrisulfanyl)propane is sourced from PubChem (CID 6429003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).