2-methyl-1,4-dithiane

C5H10S2 — CID 524173

IUPAC2-methyl-1,4-dithiane
SMILESCC1CSCCS1
InChIInChI=1S/C5H10S2/c1-5-4-6-2-3-7-5/h5H,2-4H2,1H3
InChIKeyJMDYHOLGUWKACX-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.85
Rot. Bonds

About 2-methyl-1,4-dithiane

2-methyl-1,4-dithiane (PubChem CID 524173) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2-methyl-1,4-dithiane.

Molecular Properties

Compound Name2-methyl-1,4-dithiane
PubChem CID524173
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2-methyl-1,4-dithiane
SMILESCC1CSCCS1
InChIInChI=1S/C5H10S2/c1-5-4-6-2-3-7-5/h5H,2-4H2,1H3
InChIKeyJMDYHOLGUWKACX-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dithiane?
The IUPAC name of 2-methyl-1,4-dithiane (CID 524173) is 2-methyl-1,4-dithiane.
What is the SMILES notation for 2-methyl-1,4-dithiane?
The canonical SMILES for 2-methyl-1,4-dithiane is CC1CSCCS1.
What is the InChIKey of 2-methyl-1,4-dithiane?
The InChIKey is JMDYHOLGUWKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-5-4-6-2-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-1,4-dithiane?
2-methyl-1,4-dithiane has a molecular weight of 134.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dithiane is sourced from PubChem (CID 524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).