methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane

C8H11OPS — CID 12650712

IUPACmethoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
SMILESCO[P@@](C)(=S)c1ccccc1
InChIInChI=1S/C8H11OPS/c1-9-10(2,11)8-6-4-3-5-7-8/h3-7H,1-2H3/t10-/m0/s1
InChIKeyKGXLQIRRZNHAEP-JTQLQIEISA-N
MW186.22 g/mol
LogP1.98
Rot. Bonds2

About methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane

methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 12650712) has the molecular formula C8H11OPS and a molecular weight of 186.22 g/mol. Its IUPAC name is methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
PubChem CID12650712
Molecular FormulaC8H11OPS
Molecular Weight186.22 g/mol
Exact Mass186.03
IUPAC Namemethoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
SMILESCO[P@@](C)(=S)c1ccccc1
InChIInChI=1S/C8H11OPS/c1-9-10(2,11)8-6-4-3-5-7-8/h3-7H,1-2H3/t10-/m0/s1
InChIKeyKGXLQIRRZNHAEP-JTQLQIEISA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54357760
diphenylphosphinothioylimino-methoxy-diphenyl-λ5-phosphane
CID 23418380
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine
CID 12584057
CID 50986602
CID 50986602
methoxy-(2-methoxyphenyl)-phenyl-sulfanylidene-λ5-phosphane
CID 134996436
potassium methoxy(phenyl)phosphinate
CID 141246459
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811

Frequently Asked Questions

What is the IUPAC name of methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane (CID 12650712) is methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane is CO[P@@](C)(=S)c1ccccc1.
What is the InChIKey of methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is KGXLQIRRZNHAEP-JTQLQIEISA-N. The full InChI is InChI=1S/C8H11OPS/c1-9-10(2,11)8-6-4-3-5-7-8/h3-7H,1-2H3/t10-/m0/s1.
What are the key properties of methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane?
methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 186.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12650712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).