5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol

C16H18OS — CID 143168290

IUPAC5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol
SMILESCc1cc(C)c(Oc2ccc(C)cc2S)c(C)c1
InChIInChI=1S/C16H18OS/c1-10-5-6-14(15(18)9-10)17-16-12(3)7-11(2)8-13(16)4/h5-9,18H,1-4H3
InChIKeyTUVBJQQOTJRRTE-UHFFFAOYSA-N
MW258.39 g/mol
LogP5.00
Rot. Bonds2

About 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol

5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol (PubChem CID 143168290) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol.

Molecular Properties

Compound Name5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol
PubChem CID143168290
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol
SMILESCc1cc(C)c(Oc2ccc(C)cc2S)c(C)c1
InChIInChI=1S/C16H18OS/c1-10-5-6-14(15(18)9-10)17-16-12(3)7-11(2)8-13(16)4/h5-9,18H,1-4H3
InChIKeyTUVBJQQOTJRRTE-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 172054
CID 172054
CID 12943318
CID 12943318
CID 4615543
CID 4615543
CID 205989
CID 205989
CID 563476
CID 563476
CID 11506741
CID 11506741
CID 12557196
CID 12557196
CID 265153
CID 265153
CID 11323533
CID 11323533
CID 12367164
CID 12367164
CID 15120963
CID 15120963
CID 17891073
CID 17891073

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol?
The IUPAC name of 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol (CID 143168290) is 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol.
What is the SMILES notation for 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol?
The canonical SMILES for 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol is Cc1cc(C)c(Oc2ccc(C)cc2S)c(C)c1.
What is the InChIKey of 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol?
The InChIKey is TUVBJQQOTJRRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-10-5-6-14(15(18)9-10)17-16-12(3)7-11(2)8-13(16)4/h5-9,18H,1-4H3.
What are the key properties of 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol?
5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol has a molecular weight of 258.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,6-trimethylphenoxy)benzenethiol is sourced from PubChem (CID 143168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).