methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane

C9H13O2PS2 — CID 11195989

IUPACmethoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(P(=S)(OC)SC)cc1
InChIInChI=1S/C9H13O2PS2/c1-10-8-4-6-9(7-5-8)12(13,11-2)14-3/h4-7H,1-3H3
InChIKeyUTTUGAWSFILSJC-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.64
Rot. Bonds4

About methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane

methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 11195989) has the molecular formula C9H13O2PS2 and a molecular weight of 248.31 g/mol. Its IUPAC name is methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID11195989
Molecular FormulaC9H13O2PS2
Molecular Weight248.31 g/mol
Exact Mass248.01
IUPAC Namemethoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(P(=S)(OC)SC)cc1
InChIInChI=1S/C9H13O2PS2/c1-10-8-4-6-9(7-5-8)12(13,11-2)14-3/h4-7H,1-3H3
InChIKeyUTTUGAWSFILSJC-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
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(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
CID 12607295
CID 12607295
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
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1-(113C)methoxy-4-methylbenzene
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4-methoxy-N-methylsulfanylaniline
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(4-methoxyphenyl)-methylsulfanium
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CID 91526706
CID 91526706
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
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2-methoxy-6-[(6-methoxynaphthalen-2-yl)-methylphosphoryl]naphthalene
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1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane (CID 11195989) is methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane is COc1ccc(P(=S)(OC)SC)cc1.
What is the InChIKey of methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is UTTUGAWSFILSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2PS2/c1-10-8-4-6-9(7-5-8)12(13,11-2)14-3/h4-7H,1-3H3.
What are the key properties of methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane?
methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 248.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(4-methoxyphenyl)-methylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11195989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).