2,2,3-trimethyl-1-methylsulfanylbutane

C8H18S — CID 123569851

IUPAC2,2,3-trimethyl-1-methylsulfanylbutane
SMILESCSCC(C)(C)C(C)C
InChIInChI=1S/C8H18S/c1-7(2)8(3,4)6-9-5/h7H,6H2,1-5H3
InChIKeyLGLFOQGGHUWSNP-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.03
Rot. Bonds3

About 2,2,3-trimethyl-1-methylsulfanylbutane

2,2,3-trimethyl-1-methylsulfanylbutane (PubChem CID 123569851) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-methylsulfanylbutane.

Molecular Properties

Compound Name2,2,3-trimethyl-1-methylsulfanylbutane
PubChem CID123569851
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2,2,3-trimethyl-1-methylsulfanylbutane
SMILESCSCC(C)(C)C(C)C
InChIInChI=1S/C8H18S/c1-7(2)8(3,4)6-9-5/h7H,6H2,1-5H3
InChIKeyLGLFOQGGHUWSNP-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trimethyl-1-methylsulfanylbutane 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

dimethyl(2,2,3-trimethylbutyl)silane
CID 162055830
dimethyl-[(Z)-4,4,5-trimethylhex-1-enyl]phosphane
CID 175621470
2,2-difluoro-1-methylsulfanylpropane
CID 87799753
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
CID 137446349
ethane;N,2,2,3-tetramethylbutan-1-amine
CID 142529436
2,2,3,4,5-pentamethyl-4-methylsulfanylhexane
CID 123234975
(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
CID 95241001
2,2-dimethyl-5-methylsulfanylhexane
CID 58033907
2,3,3,5,7-pentamethyloctane
CID 57491096
ethane;hexane;2,3,3-trimethylpentane
CID 143714855

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-methylsulfanylbutane?
The IUPAC name of 2,2,3-trimethyl-1-methylsulfanylbutane (CID 123569851) is 2,2,3-trimethyl-1-methylsulfanylbutane.
What is the SMILES notation for 2,2,3-trimethyl-1-methylsulfanylbutane?
The canonical SMILES for 2,2,3-trimethyl-1-methylsulfanylbutane is CSCC(C)(C)C(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-methylsulfanylbutane?
The InChIKey is LGLFOQGGHUWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-7(2)8(3,4)6-9-5/h7H,6H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-1-methylsulfanylbutane?
2,2,3-trimethyl-1-methylsulfanylbutane has a molecular weight of 146.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-methylsulfanylbutane is sourced from PubChem (CID 123569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).