(4-tert-butylphenyl)sulfinylphosphane

C10H15OPS — CID 70807217

IUPAC(4-tert-butylphenyl)sulfinylphosphane
SMILESCC(C)(C)c1ccc(S(=O)P)cc1
InChIInChI=1S/C10H15OPS/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,12H2,1-3H3
InChIKeyHQEDBLPZEVHNAW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.88
Rot. Bonds1

About (4-tert-butylphenyl)sulfinylphosphane

(4-tert-butylphenyl)sulfinylphosphane (PubChem CID 70807217) has the molecular formula C10H15OPS and a molecular weight of 214.27 g/mol. Its IUPAC name is (4-tert-butylphenyl)sulfinylphosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)sulfinylphosphane
PubChem CID70807217
Molecular FormulaC10H15OPS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name(4-tert-butylphenyl)sulfinylphosphane
SMILESCC(C)(C)c1ccc(S(=O)P)cc1
InChIInChI=1S/C10H15OPS/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,12H2,1-3H3
InChIKeyHQEDBLPZEVHNAW-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)sulfinylphosphane?
The IUPAC name of (4-tert-butylphenyl)sulfinylphosphane (CID 70807217) is (4-tert-butylphenyl)sulfinylphosphane.
What is the SMILES notation for (4-tert-butylphenyl)sulfinylphosphane?
The canonical SMILES for (4-tert-butylphenyl)sulfinylphosphane is CC(C)(C)c1ccc(S(=O)P)cc1.
What is the InChIKey of (4-tert-butylphenyl)sulfinylphosphane?
The InChIKey is HQEDBLPZEVHNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OPS/c1-10(2,3)8-4-6-9(7-5-8)13(11)12/h4-7H,12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)sulfinylphosphane?
(4-tert-butylphenyl)sulfinylphosphane has a molecular weight of 214.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)sulfinylphosphane is sourced from PubChem (CID 70807217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).