2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane

C14H26S5 — CID 20768456

IUPAC2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane
SMILESC=CCSCC(CSCC(CSCC=C)SC)SC
InChIInChI=1S/C14H26S5/c1-5-7-17-9-13(15-3)11-19-12-14(16-4)10-18-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyBYUITMRVWGSSGJ-UHFFFAOYSA-N
MW354.70 g/mol
LogP5.02
Rot. Bonds14

About 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane

2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane (PubChem CID 20768456) has the molecular formula C14H26S5 and a molecular weight of 354.70 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane
PubChem CID20768456
Molecular FormulaC14H26S5
Molecular Weight354.70 g/mol
Exact Mass354.06
IUPAC Name2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane
SMILESC=CCSCC(CSCC(CSCC=C)SC)SC
InChIInChI=1S/C14H26S5/c1-5-7-17-9-13(15-3)11-19-12-14(16-4)10-18-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyBYUITMRVWGSSGJ-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane?
The IUPAC name of 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane (CID 20768456) is 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane.
What is the SMILES notation for 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane?
The canonical SMILES for 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane is C=CCSCC(CSCC(CSCC=C)SC)SC.
What is the InChIKey of 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane?
The InChIKey is BYUITMRVWGSSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S5/c1-5-7-17-9-13(15-3)11-19-12-14(16-4)10-18-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane?
2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane has a molecular weight of 354.70 g/mol, XLogP of 5.02, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2-methylsulfanyl-3-prop-2-enylsulfanylpropyl)sulfanyl-3-prop-2-enylsulfanylpropane is sourced from PubChem (CID 20768456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).