(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane

C8H16O2S — CID 129405891

IUPAC(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane
SMILESCO[C@H]1[C@H](OC)[C@H](C)S[C@H]1C
InChIInChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3/t5-,6-,7+,8+/m0/s1
InChIKeyHDNZXBHLHSZQSJ-RULNZFCNSA-N
MW176.28 g/mol
LogP1.54
Rot. Bonds2

About (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane

(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane (PubChem CID 129405891) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane.

Molecular Properties

Compound Name(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane
PubChem CID129405891
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane
SMILESCO[C@H]1[C@H](OC)[C@H](C)S[C@H]1C
InChIInChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3/t5-,6-,7+,8+/m0/s1
InChIKeyHDNZXBHLHSZQSJ-RULNZFCNSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxythiolane
CID 12349476
5,7-Dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
CID 18737117
3,4-Diethoxythiolane
CID 19899986
2,5-Dimethyl-3-(2-methyloxolan-2-yl)sulfanyloxolane
CID 20442818
3,4-Dimethoxy-2,5-dimethylthiolane
CID 22947094
3,4-Dimethoxy-2-methylthiolane
CID 22947095
3,4-Bis(2-methoxyethoxy)thiolane
CID 23340232
(2S,3S)-2-ethyl-3-methoxythiolane
CID 54356410
(2R,3R)-2-ethyl-3-methoxythiolane
CID 54356411
4-(2-Ethoxyethoxy)-2-(2-methoxyethyl)thiolane
CID 57191058
CID 58473251
CID 58473251
(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
CID 58566906

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane?
The IUPAC name of (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane (CID 129405891) is (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane.
What is the SMILES notation for (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane?
The canonical SMILES for (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane is CO[C@H]1[C@H](OC)[C@H](C)S[C@H]1C.
What is the InChIKey of (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane?
The InChIKey is HDNZXBHLHSZQSJ-RULNZFCNSA-N. The full InChI is InChI=1S/C8H16O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h5-8H,1-4H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane?
(2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane has a molecular weight of 176.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-3,4-dimethoxy-2,5-dimethylthiolane is sourced from PubChem (CID 129405891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).