1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane

C12H26S3 — CID 15793667

IUPAC1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
SMILESCC(C)SCCCSCCCSC(C)C
InChIInChI=1S/C12H26S3/c1-11(2)14-9-5-7-13-8-6-10-15-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZEEPIGWMBNVIBZ-UHFFFAOYSA-N
MW266.54 g/mol
LogP4.78
Rot. Bonds10

About 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane

1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane (PubChem CID 15793667) has the molecular formula C12H26S3 and a molecular weight of 266.54 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
PubChem CID15793667
Molecular FormulaC12H26S3
Molecular Weight266.54 g/mol
Exact Mass266.12
IUPAC Name1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
SMILESCC(C)SCCCSCCCSC(C)C
InChIInChI=1S/C12H26S3/c1-11(2)14-9-5-7-13-8-6-10-15-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZEEPIGWMBNVIBZ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-1-propan-2-ylsulfanylpentane
CID 59397742
4-propan-2-ylsulfanylbutanal
CID 175545275
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
2-propan-2-ylsulfanylethanamine
CID 15111098
7-propan-2-ylsulfanylhept-1-ene
CID 23466756
1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
CID 102006897
8-propan-2-ylsulfanyloctanoic acid
CID 18796036
1-isocyanato-3-propan-2-ylsulfanylpropane
CID 21490448
2-propan-2-ylsulfanylethanamine;hydrochloride
CID 54758985
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
1-(3-propan-2-ylsulfanylpropyl)piperidine
CID 126550120

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane?
The IUPAC name of 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane (CID 15793667) is 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane.
What is the SMILES notation for 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane?
The canonical SMILES for 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane is CC(C)SCCCSCCCSC(C)C.
What is the InChIKey of 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane?
The InChIKey is ZEEPIGWMBNVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S3/c1-11(2)14-9-5-7-13-8-6-10-15-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane?
1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane has a molecular weight of 266.54 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane is sourced from PubChem (CID 15793667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).