2-butan-2-yl-2-methyl-1,3-dithiolane

C8H16S2 — CID 134896642

IUPAC2-butan-2-yl-2-methyl-1,3-dithiolane
SMILESCCC(C)C1(C)SCCS1
InChIInChI=1S/C8H16S2/c1-4-7(2)8(3)9-5-6-10-8/h7H,4-6H2,1-3H3
InChIKeyXLWCQBWQFWXRSH-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.23
Rot. Bonds2

About 2-butan-2-yl-2-methyl-1,3-dithiolane

2-butan-2-yl-2-methyl-1,3-dithiolane (PubChem CID 134896642) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 2-butan-2-yl-2-methyl-1,3-dithiolane.

Molecular Properties

Compound Name2-butan-2-yl-2-methyl-1,3-dithiolane
PubChem CID134896642
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name2-butan-2-yl-2-methyl-1,3-dithiolane
SMILESCCC(C)C1(C)SCCS1
InChIInChI=1S/C8H16S2/c1-4-7(2)8(3)9-5-6-10-8/h7H,4-6H2,1-3H3
InChIKeyXLWCQBWQFWXRSH-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
CID 529049
3-Ethylthiolane
CID 575673
3,5-Bis(2-methylpropyl)-1,2,4-trithiolane
CID 21773712
1,3-Dithiolane, 2-(1-methylbutyl)-
CID 55010
(2S,3S)-2,3-dimethylthiolane
CID 58230848
3,5-Dibutyl-1,2,4-trithiolane
CID 71350468
3-Ethyl-5-(2-methylpropyl)-1,2,4-trithiolane
CID 21773706
3-Methyl-5-(2-methylpropyl)-1,2,4-trithiolane
CID 21773708
3-(2-Methylpropyl)-5-propan-2-yl-1,2,4-trithiolane
CID 21773711
2,3-Dimethyltetrahydrothiophene
CID 568054
trans-2,3-Dimethyl-thiacyclopentane
CID 71366060
1,3-Dithiolane, 2-(1-methylbutyl)-4-methyl-
CID 55019

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-methyl-1,3-dithiolane?
The IUPAC name of 2-butan-2-yl-2-methyl-1,3-dithiolane (CID 134896642) is 2-butan-2-yl-2-methyl-1,3-dithiolane.
What is the SMILES notation for 2-butan-2-yl-2-methyl-1,3-dithiolane?
The canonical SMILES for 2-butan-2-yl-2-methyl-1,3-dithiolane is CCC(C)C1(C)SCCS1.
What is the InChIKey of 2-butan-2-yl-2-methyl-1,3-dithiolane?
The InChIKey is XLWCQBWQFWXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-4-7(2)8(3)9-5-6-10-8/h7H,4-6H2,1-3H3.
What are the key properties of 2-butan-2-yl-2-methyl-1,3-dithiolane?
2-butan-2-yl-2-methyl-1,3-dithiolane has a molecular weight of 176.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-methyl-1,3-dithiolane is sourced from PubChem (CID 134896642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).