3-methyl-1-propan-2-ylsulfanylbutane

C8H18S — CID 525392

IUPAC3-methyl-1-propan-2-ylsulfanylbutane
SMILESCC(C)CCSC(C)C
InChIInChI=1S/C8H18S/c1-7(2)5-6-9-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyYYBJZRATXUDALK-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-1-propan-2-ylsulfanylbutane

3-methyl-1-propan-2-ylsulfanylbutane (PubChem CID 525392) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylsulfanylbutane.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylsulfanylbutane
PubChem CID525392
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name3-methyl-1-propan-2-ylsulfanylbutane
SMILESCC(C)CCSC(C)C
InChIInChI=1S/C8H18S/c1-7(2)5-6-9-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyYYBJZRATXUDALK-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-propan-2-ylsulfanylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylsulfanylbutane?
The IUPAC name of 3-methyl-1-propan-2-ylsulfanylbutane (CID 525392) is 3-methyl-1-propan-2-ylsulfanylbutane.
What is the SMILES notation for 3-methyl-1-propan-2-ylsulfanylbutane?
The canonical SMILES for 3-methyl-1-propan-2-ylsulfanylbutane is CC(C)CCSC(C)C.
What is the InChIKey of 3-methyl-1-propan-2-ylsulfanylbutane?
The InChIKey is YYBJZRATXUDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-7(2)5-6-9-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-ylsulfanylbutane?
3-methyl-1-propan-2-ylsulfanylbutane has a molecular weight of 146.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylsulfanylbutane is sourced from PubChem (CID 525392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).