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

C4H9PS3 — CID 23413551

IUPAC2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESCP1(=S)SCCCS1
InChIInChI=1S/C4H9PS3/c1-5(6)7-3-2-4-8-5/h2-4H2,1H3
InChIKeyHSXAZWSGFQXQSJ-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.80
Rot. Bonds

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

2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (PubChem CID 23413551) has the molecular formula C4H9PS3 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
PubChem CID23413551
Molecular FormulaC4H9PS3
Molecular Weight184.29 g/mol
Exact Mass183.96
IUPAC Name2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESCP1(=S)SCCCS1
InChIInChI=1S/C4H9PS3/c1-5(6)7-3-2-4-8-5/h2-4H2,1H3
InChIKeyHSXAZWSGFQXQSJ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane 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

Phosphonotrithioic acid, methyl-, dipropyl ester
CID 70450
1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
Phosphonodithious acid, methyl-, dipropyl ester
CID 70463
2-Methyl-1,3,2-dithiaphosphinane 2-oxide
CID 23413465
Methyl dithiane
CID 18689494
Methyl-bis(propan-2-ylsulfanyl)phosphane
CID 176424983
4,6-Dimethyl-[1,2,3]trithiane
CID 550009
2-Chloro-4-methyl-1,3,2-dithiaphosphinane
CID 12730244
2-Ethylsulfanyl-1,3,2-dithiaphosphinane
CID 23418549
2-Butylsulfanyl-1,3,2-dithiaphosphinane
CID 53672427
4-Methyltrithiane
CID 5319805
Butylsulfanyl-dimethyl-sulfanylidene-lambda5-phosphane
CID 12464925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (CID 23413551) is 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is CP1(=S)SCCCS1.
What is the InChIKey of 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The InChIKey is HSXAZWSGFQXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9PS3/c1-5(6)7-3-2-4-8-5/h2-4H2,1H3.
What are the key properties of 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane has a molecular weight of 184.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 23413551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).