hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

C5H13O2PS — CID 5182207

IUPAChydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(C)(O)=S
InChIInChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9)
InChIKeyYCMIYMJPARQCES-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.59
Rot. Bonds3

About hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 5182207) has the molecular formula C5H13O2PS and a molecular weight of 168.20 g/mol. Its IUPAC name is hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
PubChem CID5182207
Molecular FormulaC5H13O2PS
Molecular Weight168.20 g/mol
Exact Mass168.04
IUPAC Namehydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(C)(O)=S
InChIInChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9)
InChIKeyYCMIYMJPARQCES-UHFFFAOYSA-N
XLogP1.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (CID 5182207) is hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is CC(C)COP(C)(O)=S.
What is the InChIKey of hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is YCMIYMJPARQCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS/c1-5(2)4-7-8(3,6)9/h5H,4H2,1-3H3,(H,6,9).
What are the key properties of hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 168.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 5182207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).