4,5-bis(methylsulfanyl)hexan-1-ol

C8H18OS2 — CID 175723867

IUPAC4,5-bis(methylsulfanyl)hexan-1-ol
SMILESCSC(C)C(CCCO)SC
InChIInChI=1S/C8H18OS2/c1-7(10-2)8(11-3)5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyWFORHIUDCUEXFZ-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.24
Rot. Bonds6

About 4,5-bis(methylsulfanyl)hexan-1-ol

4,5-bis(methylsulfanyl)hexan-1-ol (PubChem CID 175723867) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4,5-bis(methylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name4,5-bis(methylsulfanyl)hexan-1-ol
PubChem CID175723867
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name4,5-bis(methylsulfanyl)hexan-1-ol
SMILESCSC(C)C(CCCO)SC
InChIInChI=1S/C8H18OS2/c1-7(10-2)8(11-3)5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyWFORHIUDCUEXFZ-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 4,5-bis(methylsulfanyl)hexan-1-ol?
The IUPAC name of 4,5-bis(methylsulfanyl)hexan-1-ol (CID 175723867) is 4,5-bis(methylsulfanyl)hexan-1-ol.
What is the SMILES notation for 4,5-bis(methylsulfanyl)hexan-1-ol?
The canonical SMILES for 4,5-bis(methylsulfanyl)hexan-1-ol is CSC(C)C(CCCO)SC.
What is the InChIKey of 4,5-bis(methylsulfanyl)hexan-1-ol?
The InChIKey is WFORHIUDCUEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-7(10-2)8(11-3)5-4-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 4,5-bis(methylsulfanyl)hexan-1-ol?
4,5-bis(methylsulfanyl)hexan-1-ol has a molecular weight of 194.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methylsulfanyl)hexan-1-ol is sourced from PubChem (CID 175723867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).