2,6-dimethyl-4-phenoxybenzenethiol

C14H14OS — CID 71052663

IUPAC2,6-dimethyl-4-phenoxybenzenethiol
SMILESCc1cc(Oc2ccccc2)cc(C)c1S
InChIInChI=1S/C14H14OS/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,16H,1-2H3
InChIKeyKVUNXIVCCGVJNO-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.38
Rot. Bonds2

About 2,6-dimethyl-4-phenoxybenzenethiol

2,6-dimethyl-4-phenoxybenzenethiol (PubChem CID 71052663) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenoxybenzenethiol.

Molecular Properties

Compound Name2,6-dimethyl-4-phenoxybenzenethiol
PubChem CID71052663
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2,6-dimethyl-4-phenoxybenzenethiol
SMILESCc1cc(Oc2ccccc2)cc(C)c1S
InChIInChI=1S/C14H14OS/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,16H,1-2H3
InChIKeyKVUNXIVCCGVJNO-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.38
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

2,6-dimethyl-4-phenoxyaniline
CID 12546819
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
2-fluoro-6-methyl-4-phenoxyaniline
CID 129220510
2-methyl-4-phenoxyphenol
CID 23089676
ethane;phenoxybenzene;propane
CID 90923491
2-(2,6-dimethyl-4-phenoxyphenyl)acetaldehyde
CID 87392440
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium;hydride;phenoxybenzene
CID 173391576
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenoxybenzenethiol?
The IUPAC name of 2,6-dimethyl-4-phenoxybenzenethiol (CID 71052663) is 2,6-dimethyl-4-phenoxybenzenethiol.
What is the SMILES notation for 2,6-dimethyl-4-phenoxybenzenethiol?
The canonical SMILES for 2,6-dimethyl-4-phenoxybenzenethiol is Cc1cc(Oc2ccccc2)cc(C)c1S.
What is the InChIKey of 2,6-dimethyl-4-phenoxybenzenethiol?
The InChIKey is KVUNXIVCCGVJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,16H,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenoxybenzenethiol?
2,6-dimethyl-4-phenoxybenzenethiol has a molecular weight of 230.33 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenoxybenzenethiol is sourced from PubChem (CID 71052663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).