2-(4-methyliminophosphanylsulfanylphenyl)ethanol

C9H12NOPS — CID 20596248

IUPAC2-(4-methyliminophosphanylsulfanylphenyl)ethanol
SMILESC/N=P/Sc1ccc(CCO)cc1
InChIInChI=1S/C9H12NOPS/c1-10-12-13-9-4-2-8(3-5-9)6-7-11/h2-5,11H,6-7H2,1H3
InChIKeyRDXFFBJGFMCMOI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-methyliminophosphanylsulfanylphenyl)ethanol

2-(4-methyliminophosphanylsulfanylphenyl)ethanol (PubChem CID 20596248) has the molecular formula C9H12NOPS and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(4-methyliminophosphanylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methyliminophosphanylsulfanylphenyl)ethanol
PubChem CID20596248
Molecular FormulaC9H12NOPS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name2-(4-methyliminophosphanylsulfanylphenyl)ethanol
SMILESC/N=P/Sc1ccc(CCO)cc1
InChIInChI=1S/C9H12NOPS/c1-10-12-13-9-4-2-8(3-5-9)6-7-11/h2-5,11H,6-7H2,1H3
InChIKeyRDXFFBJGFMCMOI-UHFFFAOYSA-N
XLogP2.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyliminophosphanylsulfanylphenyl)ethanol?
The IUPAC name of 2-(4-methyliminophosphanylsulfanylphenyl)ethanol (CID 20596248) is 2-(4-methyliminophosphanylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(4-methyliminophosphanylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(4-methyliminophosphanylsulfanylphenyl)ethanol is C/N=P/Sc1ccc(CCO)cc1.
What is the InChIKey of 2-(4-methyliminophosphanylsulfanylphenyl)ethanol?
The InChIKey is RDXFFBJGFMCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOPS/c1-10-12-13-9-4-2-8(3-5-9)6-7-11/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-methyliminophosphanylsulfanylphenyl)ethanol?
2-(4-methyliminophosphanylsulfanylphenyl)ethanol has a molecular weight of 213.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyliminophosphanylsulfanylphenyl)ethanol is sourced from PubChem (CID 20596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).