2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol

C8H18OS2 — CID 6427454

IUPAC2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol
SMILESCSCC(CC(C)(C)O)SC
InChIInChI=1S/C8H18OS2/c1-8(2,9)5-7(11-4)6-10-3/h7,9H,5-6H2,1-4H3
InChIKeyRCBRDIFTKBOJEU-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol

2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol (PubChem CID 6427454) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol
PubChem CID6427454
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol
SMILESCSCC(CC(C)(C)O)SC
InChIInChI=1S/C8H18OS2/c1-8(2,9)5-7(11-4)6-10-3/h7,9H,5-6H2,1-4H3
InChIKeyRCBRDIFTKBOJEU-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol?
The IUPAC name of 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol (CID 6427454) is 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol.
What is the SMILES notation for 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol?
The canonical SMILES for 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol is CSCC(CC(C)(C)O)SC.
What is the InChIKey of 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol?
The InChIKey is RCBRDIFTKBOJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-8(2,9)5-7(11-4)6-10-3/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol?
2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol has a molecular weight of 194.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis(methylsulfanyl)pentan-2-ol is sourced from PubChem (CID 6427454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).