2-(2-methylpropyl)-1,3-dithiolane

C7H14S2 — CID 529630

IUPAC2-(2-methylpropyl)-1,3-dithiolane
SMILESCC(C)CC1SCCS1
InChIInChI=1S/C7H14S2/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeyBZZWMYQPYPQYLG-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-methylpropyl)-1,3-dithiolane

2-(2-methylpropyl)-1,3-dithiolane (PubChem CID 529630) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dithiolane
PubChem CID529630
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-(2-methylpropyl)-1,3-dithiolane
SMILESCC(C)CC1SCCS1
InChIInChI=1S/C7H14S2/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeyBZZWMYQPYPQYLG-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diethyl-1,2,4-trithiolane
CID 520895
1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
CID 529049
2-Isopropyl-1,3-dithiolane
CID 33589
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
3,5-Bis(2-methylpropyl)-1,2,4-trithiolane
CID 21773712
3-Methylthiolane
CID 138337
1,3-Dithiolane, 2-tert-butyl-
CID 37826
trans-3,5-Diethyl-1,2,4-trithiolane
CID 6432398
3-Ethylthiolane
CID 575673
Cis-3,4-dimethyl-thiacyclopentane
CID 6428523

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dithiolane?
The IUPAC name of 2-(2-methylpropyl)-1,3-dithiolane (CID 529630) is 2-(2-methylpropyl)-1,3-dithiolane.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dithiolane?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dithiolane is CC(C)CC1SCCS1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dithiolane?
The InChIKey is BZZWMYQPYPQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3-dithiolane?
2-(2-methylpropyl)-1,3-dithiolane has a molecular weight of 162.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dithiolane is sourced from PubChem (CID 529630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).