4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium

C4H8O2PS+ — CID 23280411

IUPAC4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium
SMILESCC1CCO[P+](=S)O1
InChIInChI=1S/C4H8O2PS/c1-4-2-3-5-7(8)6-4/h4H,2-3H2,1H3/q+1
InChIKeyFMVIMZLVCSQZCL-UHFFFAOYSA-N
MW151.15 g/mol
LogP1.59
Rot. Bonds

About 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium

4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium (PubChem CID 23280411) has the molecular formula C4H8O2PS+ and a molecular weight of 151.15 g/mol. Its IUPAC name is 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium.

Molecular Properties

Compound Name4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium
PubChem CID23280411
Molecular FormulaC4H8O2PS+
Molecular Weight151.15 g/mol
Exact Mass151.00
IUPAC Name4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium
SMILESCC1CCO[P+](=S)O1
InChIInChI=1S/C4H8O2PS/c1-4-2-3-5-7(8)6-4/h4H,2-3H2,1H3/q+1
InChIKeyFMVIMZLVCSQZCL-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-4-methyl-
CID 138736
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
4-Methyl-1,3,2-dioxaphosphorinane
CID 16694820
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2,4-Dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12545028
2-Fluoro-4-methyl-1,3,2-dioxaphosphinane
CID 12730251
2,4-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 132073990
(2R*,4S*)-2,4-Dimethyl-[1,3,2]dioxaphosphinane 2-oxide
CID 12545030
(4s)-2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 129881553
4-Methyl-2-oxo-1,3,2-dioxaphosphinan-2-ium
CID 12754322
2-Ethoxy-4-methyl-1,3,2-dioxaphosphinane
CID 12911267
Propyl 1-methyltrimethylene phosphite
CID 91988865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium?
The IUPAC name of 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium (CID 23280411) is 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium.
What is the SMILES notation for 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium?
The canonical SMILES for 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium is CC1CCO[P+](=S)O1.
What is the InChIKey of 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium?
The InChIKey is FMVIMZLVCSQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2PS/c1-4-2-3-5-7(8)6-4/h4H,2-3H2,1H3/q+1.
What are the key properties of 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium?
4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium has a molecular weight of 151.15 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-sulfanylidene-1,3,2-dioxaphosphinan-2-ium is sourced from PubChem (CID 23280411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).