3,6-di(propan-2-yl)-1,2,4,5-tetrathiane

C8H16S4 — CID 12579749

IUPAC3,6-di(propan-2-yl)-1,2,4,5-tetrathiane
SMILESCC(C)C1SSC(C(C)C)SS1
InChIInChI=1S/C8H16S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-8H,1-4H3
InChIKeyROBADDCVLNSGOK-UHFFFAOYSA-N
MW240.48 g/mol
LogP4.73
Rot. Bonds2

About 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane

3,6-di(propan-2-yl)-1,2,4,5-tetrathiane (PubChem CID 12579749) has the molecular formula C8H16S4 and a molecular weight of 240.48 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1,2,4,5-tetrathiane
PubChem CID12579749
Molecular FormulaC8H16S4
Molecular Weight240.48 g/mol
Exact Mass240.01
IUPAC Name3,6-di(propan-2-yl)-1,2,4,5-tetrathiane
SMILESCC(C)C1SSC(C(C)C)SS1
InChIInChI=1S/C8H16S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-8H,1-4H3
InChIKeyROBADDCVLNSGOK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Disulfide, bis(2-methylpropyl)
CID 80284
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
3,6-Bis(2-methylpropyl)-1,2,4,5-tetrathiane
CID 21773714
Trisulfide, bis(2-methylpropyl)
CID 11816652
3-Methyl-6-(2-methylpropyl)-1,2,4,5-tetrathiane
CID 21773710
(2-Methylpropyl)pentathiane
CID 21773723
2,2,6-Trimethyl-3,4-dithiaheptane
CID 525347
Butyl 2-methylpropyl disulfide
CID 525411
1,2-Bis(isobutyldithio)ethane
CID 129819228
Bis(2-methylpropyl)tetrasulfane
CID 15006412
2-Methyl-1-(2-methylpropyldisulfanyl)propane;sulfane
CID 87422131
2-Methyl-1-(2-methylpropylpentasulfanyl)propane
CID 102352530

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane?
The IUPAC name of 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane (CID 12579749) is 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane.
What is the SMILES notation for 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane?
The canonical SMILES for 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane is CC(C)C1SSC(C(C)C)SS1.
What is the InChIKey of 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane?
The InChIKey is ROBADDCVLNSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S4/c1-5(2)7-9-11-8(6(3)4)12-10-7/h5-8H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane?
3,6-di(propan-2-yl)-1,2,4,5-tetrathiane has a molecular weight of 240.48 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1,2,4,5-tetrathiane is sourced from PubChem (CID 12579749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).