2-butan-2-ylthiolane;ethane;propane

C15H36S — CID 142062974

IUPAC2-butan-2-ylthiolane;ethane;propane
SMILESCC.CC.CCC.CCC(C)C1CCCS1
InChIInChI=1S/C8H16S.C3H8.2C2H6/c1-3-7(2)8-5-4-6-9-8;1-3-2;2*1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyOLADKZFYCRLJOO-UHFFFAOYSA-N
MW248.52 g/mol
LogP6.40
Rot. Bonds2

About 2-butan-2-ylthiolane;ethane;propane

2-butan-2-ylthiolane;ethane;propane (PubChem CID 142062974) has the molecular formula C15H36S and a molecular weight of 248.52 g/mol. Its IUPAC name is 2-butan-2-ylthiolane;ethane;propane.

Molecular Properties

Compound Name2-butan-2-ylthiolane;ethane;propane
PubChem CID142062974
Molecular FormulaC15H36S
Molecular Weight248.52 g/mol
Exact Mass248.25
IUPAC Name2-butan-2-ylthiolane;ethane;propane
SMILESCC.CC.CCC.CCC(C)C1CCCS1
InChIInChI=1S/C8H16S.C3H8.2C2H6/c1-3-7(2)8-5-4-6-9-8;1-3-2;2*1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyOLADKZFYCRLJOO-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-ylthiolane;ethane;propane 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

[2-ethyl-1-(thiolan-2-yl)butyl]hydrazine
CID 105255275
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
butan-2-ylcyclohexane;ethane;propane
CID 143477078
1-(thiolan-2-yl)ethylhydrazine
CID 105255514
2-octan-4-ylthiolane
CID 163811177
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
butan-2-ylcyclopentane;ethane
CID 143236269
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
1-(thiolan-2-yl)hexan-1-amine
CID 80622704
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylthiolane;ethane;propane?
The IUPAC name of 2-butan-2-ylthiolane;ethane;propane (CID 142062974) is 2-butan-2-ylthiolane;ethane;propane.
What is the SMILES notation for 2-butan-2-ylthiolane;ethane;propane?
The canonical SMILES for 2-butan-2-ylthiolane;ethane;propane is CC.CC.CCC.CCC(C)C1CCCS1.
What is the InChIKey of 2-butan-2-ylthiolane;ethane;propane?
The InChIKey is OLADKZFYCRLJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.C3H8.2C2H6/c1-3-7(2)8-5-4-6-9-8;1-3-2;2*1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 2-butan-2-ylthiolane;ethane;propane?
2-butan-2-ylthiolane;ethane;propane has a molecular weight of 248.52 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylthiolane;ethane;propane is sourced from PubChem (CID 142062974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).