methoxy-methylsulfanyl-sulfanylidenephosphanium

C2H6OPS2+ — CID 57376830

IUPACmethoxy-methylsulfanyl-sulfanylidenephosphanium
SMILESCO[P+](=S)SC
InChIInChI=1S/C2H6OPS2/c1-3-4(5)6-2/h1-2H3/q+1
InChIKeyTVRITGWOOSJYAX-UHFFFAOYSA-N
MW141.18 g/mol
LogP1.77
Rot. Bonds2

About methoxy-methylsulfanyl-sulfanylidenephosphanium

methoxy-methylsulfanyl-sulfanylidenephosphanium (PubChem CID 57376830) has the molecular formula C2H6OPS2+ and a molecular weight of 141.18 g/mol. Its IUPAC name is methoxy-methylsulfanyl-sulfanylidenephosphanium.

Molecular Properties

Compound Namemethoxy-methylsulfanyl-sulfanylidenephosphanium
PubChem CID57376830
Molecular FormulaC2H6OPS2+
Molecular Weight141.18 g/mol
Exact Mass140.96
IUPAC Namemethoxy-methylsulfanyl-sulfanylidenephosphanium
SMILESCO[P+](=S)SC
InChIInChI=1S/C2H6OPS2/c1-3-4(5)6-2/h1-2H3/q+1
InChIKeyTVRITGWOOSJYAX-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 methoxy-methylsulfanyl-sulfanylidenephosphanium?
The IUPAC name of methoxy-methylsulfanyl-sulfanylidenephosphanium (CID 57376830) is methoxy-methylsulfanyl-sulfanylidenephosphanium.
What is the SMILES notation for methoxy-methylsulfanyl-sulfanylidenephosphanium?
The canonical SMILES for methoxy-methylsulfanyl-sulfanylidenephosphanium is CO[P+](=S)SC.
What is the InChIKey of methoxy-methylsulfanyl-sulfanylidenephosphanium?
The InChIKey is TVRITGWOOSJYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OPS2/c1-3-4(5)6-2/h1-2H3/q+1.
What are the key properties of methoxy-methylsulfanyl-sulfanylidenephosphanium?
methoxy-methylsulfanyl-sulfanylidenephosphanium has a molecular weight of 141.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylsulfanyl-sulfanylidenephosphanium is sourced from PubChem (CID 57376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).