3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane

C8H14S4 — CID 131858780

IUPAC3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane
SMILESCC(C)=C1SSC(C(C)C)SS1
InChIInChI=1S/C8H14S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5,7H,1-4H3
InChIKeyLMYJIVTYLOPCFC-UHFFFAOYSA-N
MW238.47 g/mol
LogP5.00
Rot. Bonds1

About 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane

3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane (PubChem CID 131858780) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane.

Molecular Properties

Compound Name3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane
PubChem CID131858780
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane
SMILESCC(C)=C1SSC(C(C)C)SS1
InChIInChI=1S/C8H14S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5,7H,1-4H3
InChIKeyLMYJIVTYLOPCFC-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane?
The IUPAC name of 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane (CID 131858780) is 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane.
What is the SMILES notation for 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane?
The canonical SMILES for 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane is CC(C)=C1SSC(C(C)C)SS1.
What is the InChIKey of 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane?
The InChIKey is LMYJIVTYLOPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5,7H,1-4H3.
What are the key properties of 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane?
3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane has a molecular weight of 238.47 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane is sourced from PubChem (CID 131858780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).