(2,5-dimethyloxolan-3-yl)sulfanyl acetate

C8H14O3S — CID 178070996

IUPAC(2,5-dimethyloxolan-3-yl)sulfanyl acetate
SMILESCC(=O)OSC1CC(C)OC1C
InChIInChI=1S/C8H14O3S/c1-5-4-8(6(2)10-5)12-11-7(3)9/h5-6,8H,4H2,1-3H3
InChIKeyJTEKBKQGTRDICR-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.76
Rot. Bonds2

About (2,5-dimethyloxolan-3-yl)sulfanyl acetate

(2,5-dimethyloxolan-3-yl)sulfanyl acetate (PubChem CID 178070996) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (2,5-dimethyloxolan-3-yl)sulfanyl acetate.

Molecular Properties

Compound Name(2,5-dimethyloxolan-3-yl)sulfanyl acetate
PubChem CID178070996
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(2,5-dimethyloxolan-3-yl)sulfanyl acetate
SMILESCC(=O)OSC1CC(C)OC1C
InChIInChI=1S/C8H14O3S/c1-5-4-8(6(2)10-5)12-11-7(3)9/h5-6,8H,4H2,1-3H3
InChIKeyJTEKBKQGTRDICR-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dimethyloxolan-3-yl)sulfanyl acetate 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

2-(2,6-dimethyloxan-4-yl)ethyl acetate
CID 134539061
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
5-methyloxolane-2,3-dicarboxylic acid
CID 70497791
[(2S,3R,4S)-3-acetyloxy-6-bromo-2-methyloxan-4-yl] acetate
CID 10891746
[3-hydroxy-6-[4-hydroxy-6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
CID 77477198
(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
CID 141350256
[(2S,3R,4R,5S)-4,5-diacetyloxy-6-dihydroxyphosphanyloxy-2-methyloxan-3-yl] acetate
CID 57038168
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
(2S,3R)-2,4,6-trimethyloxan-3-ol
CID 142458613

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyloxolan-3-yl)sulfanyl acetate?
The IUPAC name of (2,5-dimethyloxolan-3-yl)sulfanyl acetate (CID 178070996) is (2,5-dimethyloxolan-3-yl)sulfanyl acetate.
What is the SMILES notation for (2,5-dimethyloxolan-3-yl)sulfanyl acetate?
The canonical SMILES for (2,5-dimethyloxolan-3-yl)sulfanyl acetate is CC(=O)OSC1CC(C)OC1C.
What is the InChIKey of (2,5-dimethyloxolan-3-yl)sulfanyl acetate?
The InChIKey is JTEKBKQGTRDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-5-4-8(6(2)10-5)12-11-7(3)9/h5-6,8H,4H2,1-3H3.
What are the key properties of (2,5-dimethyloxolan-3-yl)sulfanyl acetate?
(2,5-dimethyloxolan-3-yl)sulfanyl acetate has a molecular weight of 190.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyloxolan-3-yl)sulfanyl acetate is sourced from PubChem (CID 178070996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).