2,6-bis(methylsulfanylmethyl)phenol

C10H14OS2 — CID 13383858

IUPAC2,6-bis(methylsulfanylmethyl)phenol
SMILESCSCc1cccc(CSC)c1O
InChIInChI=1S/C10H14OS2/c1-12-6-8-4-3-5-9(7-13-2)10(8)11/h3-5,11H,6-7H2,1-2H3
InChIKeyMIRWVLAESWWVDJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.12
Rot. Bonds4

About 2,6-bis(methylsulfanylmethyl)phenol

2,6-bis(methylsulfanylmethyl)phenol (PubChem CID 13383858) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,6-bis(methylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2,6-bis(methylsulfanylmethyl)phenol
PubChem CID13383858
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name2,6-bis(methylsulfanylmethyl)phenol
SMILESCSCc1cccc(CSC)c1O
InChIInChI=1S/C10H14OS2/c1-12-6-8-4-3-5-9(7-13-2)10(8)11/h3-5,11H,6-7H2,1-2H3
InChIKeyMIRWVLAESWWVDJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanylmethyl)phenol?
The IUPAC name of 2,6-bis(methylsulfanylmethyl)phenol (CID 13383858) is 2,6-bis(methylsulfanylmethyl)phenol.
What is the SMILES notation for 2,6-bis(methylsulfanylmethyl)phenol?
The canonical SMILES for 2,6-bis(methylsulfanylmethyl)phenol is CSCc1cccc(CSC)c1O.
What is the InChIKey of 2,6-bis(methylsulfanylmethyl)phenol?
The InChIKey is MIRWVLAESWWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-12-6-8-4-3-5-9(7-13-2)10(8)11/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 2,6-bis(methylsulfanylmethyl)phenol?
2,6-bis(methylsulfanylmethyl)phenol has a molecular weight of 214.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanylmethyl)phenol is sourced from PubChem (CID 13383858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).