(3S)-3-methylthiolane

C5H10S — CID 58024233

IUPAC(3S)-3-methylthiolane
SMILESC[C@H]1CCSC1
InChIInChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyDLABLFPCTXRQMY-YFKPBYRVSA-N
MW102.20 g/mol
LogP1.76
Rot. Bonds

About (3S)-3-methylthiolane

(3S)-3-methylthiolane (PubChem CID 58024233) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (3S)-3-methylthiolane.

Molecular Properties

Compound Name(3S)-3-methylthiolane
PubChem CID58024233
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(3S)-3-methylthiolane
SMILESC[C@H]1CCSC1
InChIInChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyDLABLFPCTXRQMY-YFKPBYRVSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylthiolane?
The IUPAC name of (3S)-3-methylthiolane (CID 58024233) is (3S)-3-methylthiolane.
What is the SMILES notation for (3S)-3-methylthiolane?
The canonical SMILES for (3S)-3-methylthiolane is C[C@H]1CCSC1.
What is the InChIKey of (3S)-3-methylthiolane?
The InChIKey is DLABLFPCTXRQMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methylthiolane?
(3S)-3-methylthiolane has a molecular weight of 102.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylthiolane is sourced from PubChem (CID 58024233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).