2,4,6-tri(propan-2-yloxy)benzenethiol

C15H24O3S — CID 159688108

IUPAC2,4,6-tri(propan-2-yloxy)benzenethiol
SMILESCC(C)Oc1cc(OC(C)C)c(S)c(OC(C)C)c1
InChIInChI=1S/C15H24O3S/c1-9(2)16-12-7-13(17-10(3)4)15(19)14(8-12)18-11(5)6/h7-11,19H,1-6H3
InChIKeyMWBCQPMENDLPRV-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.34
Rot. Bonds6

About 2,4,6-tri(propan-2-yloxy)benzenethiol

2,4,6-tri(propan-2-yloxy)benzenethiol (PubChem CID 159688108) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yloxy)benzenethiol.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yloxy)benzenethiol
PubChem CID159688108
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name2,4,6-tri(propan-2-yloxy)benzenethiol
SMILESCC(C)Oc1cc(OC(C)C)c(S)c(OC(C)C)c1
InChIInChI=1S/C15H24O3S/c1-9(2)16-12-7-13(17-10(3)4)15(19)14(8-12)18-11(5)6/h7-11,19H,1-6H3
InChIKeyMWBCQPMENDLPRV-UHFFFAOYSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yloxy)benzenethiol?
The IUPAC name of 2,4,6-tri(propan-2-yloxy)benzenethiol (CID 159688108) is 2,4,6-tri(propan-2-yloxy)benzenethiol.
What is the SMILES notation for 2,4,6-tri(propan-2-yloxy)benzenethiol?
The canonical SMILES for 2,4,6-tri(propan-2-yloxy)benzenethiol is CC(C)Oc1cc(OC(C)C)c(S)c(OC(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yloxy)benzenethiol?
The InChIKey is MWBCQPMENDLPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-9(2)16-12-7-13(17-10(3)4)15(19)14(8-12)18-11(5)6/h7-11,19H,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yloxy)benzenethiol?
2,4,6-tri(propan-2-yloxy)benzenethiol has a molecular weight of 284.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yloxy)benzenethiol is sourced from PubChem (CID 159688108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).