(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane

C6H13FS — CID 135220072

IUPAC(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane
SMILESCS[C@@H](C)C(C)(C)F
InChIInChI=1S/C6H13FS/c1-5(8-4)6(2,3)7/h5H,1-4H3/t5-/m0/s1
InChIKeyZANWPEMYPUJUGP-YFKPBYRVSA-N
MW136.23 g/mol
LogP2.49
Rot. Bonds2

About (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane

(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane (PubChem CID 135220072) has the molecular formula C6H13FS and a molecular weight of 136.23 g/mol. Its IUPAC name is (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane.

Molecular Properties

Compound Name(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane
PubChem CID135220072
Molecular FormulaC6H13FS
Molecular Weight136.23 g/mol
Exact Mass136.07
IUPAC Name(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane
SMILESCS[C@@H](C)C(C)(C)F
InChIInChI=1S/C6H13FS/c1-5(8-4)6(2,3)7/h5H,1-4H3/t5-/m0/s1
InChIKeyZANWPEMYPUJUGP-YFKPBYRVSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane 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 (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane?
The IUPAC name of (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane (CID 135220072) is (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane.
What is the SMILES notation for (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane?
The canonical SMILES for (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane is CS[C@@H](C)C(C)(C)F.
What is the InChIKey of (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane?
The InChIKey is ZANWPEMYPUJUGP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13FS/c1-5(8-4)6(2,3)7/h5H,1-4H3/t5-/m0/s1.
What are the key properties of (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane?
(3S)-2-fluoro-2-methyl-3-methylsulfanylbutane has a molecular weight of 136.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-fluoro-2-methyl-3-methylsulfanylbutane is sourced from PubChem (CID 135220072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).