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

C4H8ClPS2 — CID 12730244

IUPAC2-chloro-4-methyl-1,3,2-dithiaphosphinane
SMILESCC1CCSP(Cl)S1
InChIInChI=1S/C4H8ClPS2/c1-4-2-3-7-6(5)8-4/h4H,2-3H2,1H3
InChIKeyAXIRCTNZZYDCIH-UHFFFAOYSA-N
MW186.67 g/mol
LogP3.71
Rot. Bonds

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

2-chloro-4-methyl-1,3,2-dithiaphosphinane (PubChem CID 12730244) has the molecular formula C4H8ClPS2 and a molecular weight of 186.67 g/mol. Its IUPAC name is 2-chloro-4-methyl-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name2-chloro-4-methyl-1,3,2-dithiaphosphinane
PubChem CID12730244
Molecular FormulaC4H8ClPS2
Molecular Weight186.67 g/mol
Exact Mass185.95
IUPAC Name2-chloro-4-methyl-1,3,2-dithiaphosphinane
SMILESCC1CCSP(Cl)S1
InChIInChI=1S/C4H8ClPS2/c1-4-2-3-7-6(5)8-4/h4H,2-3H2,1H3
InChIKeyAXIRCTNZZYDCIH-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
Methyl dithiane
CID 18689494
Butyldichlorodithiophosphate
CID 13229575
2-Methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 23413551
4,6-Dimethyl-[1,2,3]trithiane
CID 550009
2-Ethylsulfanyl-1,3,2-dithiaphosphinane
CID 23418549
2-Butylsulfanyl-1,3,2-dithiaphosphinane
CID 53672427
4-Methyltrithiane
CID 5319805
2,2-Dimethyl-1,3,2-dithiastanninane
CID 12668662
S,S'-diisopropyl dithiochlorophosphite
CID 15063642
Yoxrodsusaoesb-uhfffaoysa-
CID 16694823
Axirctnzzydcih-xinawcovsa-
CID 21674351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1,3,2-dithiaphosphinane?
The IUPAC name of 2-chloro-4-methyl-1,3,2-dithiaphosphinane (CID 12730244) is 2-chloro-4-methyl-1,3,2-dithiaphosphinane.
What is the SMILES notation for 2-chloro-4-methyl-1,3,2-dithiaphosphinane?
The canonical SMILES for 2-chloro-4-methyl-1,3,2-dithiaphosphinane is CC1CCSP(Cl)S1.
What is the InChIKey of 2-chloro-4-methyl-1,3,2-dithiaphosphinane?
The InChIKey is AXIRCTNZZYDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClPS2/c1-4-2-3-7-6(5)8-4/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-methyl-1,3,2-dithiaphosphinane?
2-chloro-4-methyl-1,3,2-dithiaphosphinane has a molecular weight of 186.67 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1,3,2-dithiaphosphinane is sourced from PubChem (CID 12730244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).