2-methyl-1,3-dithiane

C5H10S2 — CID 22329

IUPAC2-methyl-1,3-dithiane
SMILESCC1SCCCS1
InChIInChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyKXROTPXCYDXGSC-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.20
Rot. Bonds

About 2-methyl-1,3-dithiane

2-methyl-1,3-dithiane (PubChem CID 22329) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2-methyl-1,3-dithiane.

Molecular Properties

Compound Name2-methyl-1,3-dithiane
PubChem CID22329
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2-methyl-1,3-dithiane
SMILESCC1SCCCS1
InChIInChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKeyKXROTPXCYDXGSC-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,3-dithiane 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

1,3-Dithiane
CID 10451
2,4,6-Trimethyl-1,3,5-trithiane
CID 17696
3-Methyl-1,2,4-trithiane
CID 65290
Methyl 1-(methylthio)propyl disulfide
CID 521472
1-(1-Sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
2-Ethyl-1,3-dithiane
CID 521915
2,4,6-Triethyl-1,3,5-trithiane
CID 12487714
1-(Propylthio)1-propanethiol
CID 20475939
Ethyl 1-(methylthio)propyl disulfide
CID 6429019
4,6-Diethyl-1,2,3,5-tetrathiane
CID 529378
2,5-Dimethyl-1,4-dithiane
CID 51520
4,6-Dimethyl-1,2,3,5-tetrathiane
CID 526622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dithiane?
The IUPAC name of 2-methyl-1,3-dithiane (CID 22329) is 2-methyl-1,3-dithiane.
What is the SMILES notation for 2-methyl-1,3-dithiane?
The canonical SMILES for 2-methyl-1,3-dithiane is CC1SCCCS1.
What is the InChIKey of 2-methyl-1,3-dithiane?
The InChIKey is KXROTPXCYDXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-1,3-dithiane?
2-methyl-1,3-dithiane has a molecular weight of 134.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dithiane is sourced from PubChem (CID 22329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).