2-methylsulfanyl-1,3-dithiolane

C4H8S3 — CID 14473902

IUPAC2-methylsulfanyl-1,3-dithiolane
SMILESCSC1SCCS1
InChIInChI=1S/C4H8S3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3
InChIKeyUMXBATVGSBGWII-UHFFFAOYSA-N
MW152.31 g/mol
LogP2.11
Rot. Bonds1

About 2-methylsulfanyl-1,3-dithiolane

2-methylsulfanyl-1,3-dithiolane (PubChem CID 14473902) has the molecular formula C4H8S3 and a molecular weight of 152.31 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-dithiolane.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-dithiolane
PubChem CID14473902
Molecular FormulaC4H8S3
Molecular Weight152.31 g/mol
Exact Mass151.98
IUPAC Name2-methylsulfanyl-1,3-dithiolane
SMILESCSC1SCCS1
InChIInChI=1S/C4H8S3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3
InChIKeyUMXBATVGSBGWII-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,3-dithiolane?
The IUPAC name of 2-methylsulfanyl-1,3-dithiolane (CID 14473902) is 2-methylsulfanyl-1,3-dithiolane.
What is the SMILES notation for 2-methylsulfanyl-1,3-dithiolane?
The canonical SMILES for 2-methylsulfanyl-1,3-dithiolane is CSC1SCCS1.
What is the InChIKey of 2-methylsulfanyl-1,3-dithiolane?
The InChIKey is UMXBATVGSBGWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3.
What are the key properties of 2-methylsulfanyl-1,3-dithiolane?
2-methylsulfanyl-1,3-dithiolane has a molecular weight of 152.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-dithiolane is sourced from PubChem (CID 14473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).