2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide

C4H9OPS2 — CID 23413465

IUPAC2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide
SMILESCP1(=O)SCCCS1
InChIInChI=1S/C4H9OPS2/c1-6(5)7-3-2-4-8-6/h2-4H2,1H3
InChIKeyUBBJWTQYBGZABN-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.68
Rot. Bonds

About 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide

2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide (PubChem CID 23413465) has the molecular formula C4H9OPS2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide.

Molecular Properties

Compound Name2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide
PubChem CID23413465
Molecular FormulaC4H9OPS2
Molecular Weight168.22 g/mol
Exact Mass167.98
IUPAC Name2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide
SMILESCP1(=O)SCCCS1
InChIInChI=1S/C4H9OPS2/c1-6(5)7-3-2-4-8-6/h2-4H2,1H3
InChIKeyUBBJWTQYBGZABN-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonodithioic acid, methyl-, S,S-dipropyl ester
CID 70449
S,S'-Diethyl methylphosphonodithioate
CID 565315
2-Methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 23413551
Tri-thiobutylphosphine oxide
CID 129657855
2-Oxothiaphosphinane
CID 132279910
Oxo-bis(propan-2-ylsulfanyl)phosphanium
CID 15063651
2-Methyl-1,3,2-dithiaphosphinane
CID 23414706
Ethane;oxo-propylsulfanyl-sulfanylphosphanium
CID 88648100
2,4,4-Trimethyl-1,3,2lambda5-dithiaphosphinane 2-oxide
CID 89441993
1-(Methyldisulfanyl)-3-phosphorosopropane
CID 175222747
4-Methyl-1,3,2-dithiaphosphinan-2-ium 2-oxide
CID 23418648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide?
The IUPAC name of 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide (CID 23413465) is 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide.
What is the SMILES notation for 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide?
The canonical SMILES for 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide is CP1(=O)SCCCS1.
What is the InChIKey of 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide?
The InChIKey is UBBJWTQYBGZABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OPS2/c1-6(5)7-3-2-4-8-6/h2-4H2,1H3.
What are the key properties of 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide?
2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide has a molecular weight of 168.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2λ5-dithiaphosphinane 2-oxide is sourced from PubChem (CID 23413465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).