(2S,5S)-2,5-dimethylthiolane

C6H12S — CID 71360833

IUPAC(2S,5S)-2,5-dimethylthiolane
SMILESC[C@H]1CC[C@H](C)S1
InChIInChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyIBKCTZVPGMUZGZ-WDSKDSINSA-N
MW116.23 g/mol
LogP2.29
Rot. Bonds

About (2S,5S)-2,5-dimethylthiolane

(2S,5S)-2,5-dimethylthiolane (PubChem CID 71360833) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethylthiolane.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethylthiolane
PubChem CID71360833
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(2S,5S)-2,5-dimethylthiolane
SMILESC[C@H]1CC[C@H](C)S1
InChIInChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyIBKCTZVPGMUZGZ-WDSKDSINSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrothiophene
CID 1127
2,5-Dimethyltetrahydrothiophene
CID 15247
2-Methyltetrahydrothiophene
CID 15711
1,3-Dithiolane, 2,2-diethyl-
CID 33590
1,3-Dithiolane, 2-methyl-2-propyl-
CID 42238
2-Methylthiolane-3-thiol
CID 524170
2-Ethyltetrahydrothiophene
CID 519125
2-Propyltetrahydrothiophene
CID 519126
Thiophene, tetrahydro-2,5-dimethyl-, cis-
CID 6432504
Thiophene, tetrahydro-2,5-dimethyl-, trans-
CID 6432505
Thiophenium, tetrahydro-1,2-dimethyl-, iodide
CID 3044827
1,2-Dimethylthiolan-1-ium
CID 3044828

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethylthiolane?
The IUPAC name of (2S,5S)-2,5-dimethylthiolane (CID 71360833) is (2S,5S)-2,5-dimethylthiolane.
What is the SMILES notation for (2S,5S)-2,5-dimethylthiolane?
The canonical SMILES for (2S,5S)-2,5-dimethylthiolane is C[C@H]1CC[C@H](C)S1.
What is the InChIKey of (2S,5S)-2,5-dimethylthiolane?
The InChIKey is IBKCTZVPGMUZGZ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethylthiolane?
(2S,5S)-2,5-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethylthiolane is sourced from PubChem (CID 71360833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).