2-methyl-1-(2-methylpropyltrisulfanyl)propane

C8H18S3 — CID 11816652

IUPAC2-methyl-1-(2-methylpropyltrisulfanyl)propane
SMILESCC(C)CSSSCC(C)C
InChIInChI=1S/C8H18S3/c1-7(2)5-9-11-10-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOLDGZVUDLLXEQQ-UHFFFAOYSA-N
MW210.43 g/mol
LogP4.33
Rot. Bonds6

About 2-methyl-1-(2-methylpropyltrisulfanyl)propane

2-methyl-1-(2-methylpropyltrisulfanyl)propane (PubChem CID 11816652) has the molecular formula C8H18S3 and a molecular weight of 210.43 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyltrisulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyltrisulfanyl)propane
PubChem CID11816652
Molecular FormulaC8H18S3
Molecular Weight210.43 g/mol
Exact Mass210.06
IUPAC Name2-methyl-1-(2-methylpropyltrisulfanyl)propane
SMILESCC(C)CSSSCC(C)C
InChIInChI=1S/C8H18S3/c1-7(2)5-9-11-10-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOLDGZVUDLLXEQQ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyltrisulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropyltrisulfanyl)propane (CID 11816652) is 2-methyl-1-(2-methylpropyltrisulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropyltrisulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropyltrisulfanyl)propane is CC(C)CSSSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyltrisulfanyl)propane?
The InChIKey is OLDGZVUDLLXEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S3/c1-7(2)5-9-11-10-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropyltrisulfanyl)propane?
2-methyl-1-(2-methylpropyltrisulfanyl)propane has a molecular weight of 210.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyltrisulfanyl)propane is sourced from PubChem (CID 11816652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).