2-ethylsulfanyl-1,3,2-dithiaphosphinane

C5H11PS3 — CID 23418549

IUPAC2-ethylsulfanyl-1,3,2-dithiaphosphinane
SMILESCCSP1SCCCS1
InChIInChI=1S/C5H11PS3/c1-2-7-6-8-4-3-5-9-6/h2-5H2,1H3
InChIKeyMNFAOUSOTJIADL-UHFFFAOYSA-N
MW198.32 g/mol
LogP3.84
Rot. Bonds2

About 2-ethylsulfanyl-1,3,2-dithiaphosphinane

2-ethylsulfanyl-1,3,2-dithiaphosphinane (PubChem CID 23418549) has the molecular formula C5H11PS3 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3,2-dithiaphosphinane
PubChem CID23418549
Molecular FormulaC5H11PS3
Molecular Weight198.32 g/mol
Exact Mass197.98
IUPAC Name2-ethylsulfanyl-1,3,2-dithiaphosphinane
SMILESCCSP1SCCCS1
InChIInChI=1S/C5H11PS3/c1-2-7-6-8-4-3-5-9-6/h2-5H2,1H3
InChIKeyMNFAOUSOTJIADL-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 53.84
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

1,2-Dithiane
CID 136335
1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
Methyl dithiane
CID 18689494
Ethyl dithiane
CID 18689492
4,4-Dimethyl-1,2,3-trithiane
CID 71329162
2-Methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 23413551
4,6-Dimethyl-[1,2,3]trithiane
CID 550009
3,6-Dimethyldithiane
CID 12272146
2-Chloro-4-methyl-1,3,2-dithiaphosphinane
CID 12730244
2-Butylsulfanyl-1,3,2-dithiaphosphinane
CID 53672427
4-Methyltrithiane
CID 5319805

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3,2-dithiaphosphinane?
The IUPAC name of 2-ethylsulfanyl-1,3,2-dithiaphosphinane (CID 23418549) is 2-ethylsulfanyl-1,3,2-dithiaphosphinane.
What is the SMILES notation for 2-ethylsulfanyl-1,3,2-dithiaphosphinane?
The canonical SMILES for 2-ethylsulfanyl-1,3,2-dithiaphosphinane is CCSP1SCCCS1.
What is the InChIKey of 2-ethylsulfanyl-1,3,2-dithiaphosphinane?
The InChIKey is MNFAOUSOTJIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11PS3/c1-2-7-6-8-4-3-5-9-6/h2-5H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,3,2-dithiaphosphinane?
2-ethylsulfanyl-1,3,2-dithiaphosphinane has a molecular weight of 198.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3,2-dithiaphosphinane is sourced from PubChem (CID 23418549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).