4-methyl-1,3,2-dithiaphosphinane

C4H9PS2 — CID 16694823

IUPAC4-methyl-1,3,2-dithiaphosphinane
SMILESCC1CCSPS1
InChIInChI=1S/C4H9PS2/c1-4-2-3-6-5-7-4/h4-5H,2-3H2,1H3
InChIKeyYOXRODSUSAOESB-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.75
Rot. Bonds

About 4-methyl-1,3,2-dithiaphosphinane

4-methyl-1,3,2-dithiaphosphinane (PubChem CID 16694823) has the molecular formula C4H9PS2 and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-methyl-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name4-methyl-1,3,2-dithiaphosphinane
PubChem CID16694823
Molecular FormulaC4H9PS2
Molecular Weight152.22 g/mol
Exact Mass151.99
IUPAC Name4-methyl-1,3,2-dithiaphosphinane
SMILESCC1CCSPS1
InChIInChI=1S/C4H9PS2/c1-4-2-3-6-5-7-4/h4-5H,2-3H2,1H3
InChIKeyYOXRODSUSAOESB-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
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 4-methyl-1,3,2-dithiaphosphinane?
The IUPAC name of 4-methyl-1,3,2-dithiaphosphinane (CID 16694823) is 4-methyl-1,3,2-dithiaphosphinane.
What is the SMILES notation for 4-methyl-1,3,2-dithiaphosphinane?
The canonical SMILES for 4-methyl-1,3,2-dithiaphosphinane is CC1CCSPS1.
What is the InChIKey of 4-methyl-1,3,2-dithiaphosphinane?
The InChIKey is YOXRODSUSAOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9PS2/c1-4-2-3-6-5-7-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3,2-dithiaphosphinane?
4-methyl-1,3,2-dithiaphosphinane has a molecular weight of 152.22 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,2-dithiaphosphinane is sourced from PubChem (CID 16694823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).