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

C14H26S5 — CID 20768492

IUPAC1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane
SMILESC=CCSC(CSC)CSCC(CSC)SCC=C
InChIInChI=1S/C14H26S5/c1-5-7-18-13(9-15-3)11-17-12-14(10-16-4)19-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyIRWWCOPKTUVGIO-UHFFFAOYSA-N
MW354.70 g/mol
LogP5.02
Rot. Bonds14

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

1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane (PubChem CID 20768492) has the molecular formula C14H26S5 and a molecular weight of 354.70 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane.

Molecular Properties

Compound Name1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane
PubChem CID20768492
Molecular FormulaC14H26S5
Molecular Weight354.70 g/mol
Exact Mass354.06
IUPAC Name1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane
SMILESC=CCSC(CSC)CSCC(CSC)SCC=C
InChIInChI=1S/C14H26S5/c1-5-7-18-13(9-15-3)11-17-12-14(10-16-4)19-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyIRWWCOPKTUVGIO-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane?
The IUPAC name of 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane (CID 20768492) is 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane.
What is the SMILES notation for 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane?
The canonical SMILES for 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane is C=CCSC(CSC)CSCC(CSC)SCC=C.
What is the InChIKey of 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane?
The InChIKey is IRWWCOPKTUVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S5/c1-5-7-18-13(9-15-3)11-17-12-14(10-16-4)19-8-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane?
1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-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 1-methylsulfanyl-3-(3-methylsulfanyl-2-prop-2-enylsulfanylpropyl)sulfanyl-2-prop-2-enylsulfanylpropane is sourced from PubChem (CID 20768492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).