[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate

C10H18O2S2 — CID 135011256

IUPAC[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CC1(C)SCCCS1
InChIInChI=1S/C10H18O2S2/c1-8(12-9(2)11)7-10(3)13-5-4-6-14-10/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyWOMWRUHAMKRCPR-MRVPVSSYSA-N
MW234.39 g/mol
LogP2.91
Rot. Bonds3

About [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate

[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate (PubChem CID 135011256) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate
PubChem CID135011256
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CC1(C)SCCCS1
InChIInChI=1S/C10H18O2S2/c1-8(12-9(2)11)7-10(3)13-5-4-6-14-10/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyWOMWRUHAMKRCPR-MRVPVSSYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] 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

Ethyl 1,3-dithiane-2-carboxylate
CID 88552
Thian-4-yl acetate
CID 294829
4-(Acetyloxy)-1-methylthian-1-ium iodide
CID 3042006
(r)-6-Methyl-[1,4]oxathian-2-one
CID 642750
3-Acetoxythiacyclohexane
CID 538721
Ethyl 2-(2-methyl-1,3-dithian-2-yl)acetate
CID 6917456
1,3-Dithiane-2-acetic acid, ethyl ester
CID 11298703
[(2S)-1-(1,3-dithian-2-yl)-3-oxobutan-2-yl] acetate
CID 11357102
2-(1,3-Dithian-2-yl)-1-methylethyl propionate
CID 369336
2,3-Diacetylthio-1-methylpropyl acetate
CID 474223
3-Acetylthio-1-(acetylthiomethyl)propyl acetate
CID 474225
5-Acetylthio-1-(acetylthiomethyl)pentyl acetate
CID 474229

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate?
The IUPAC name of [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate (CID 135011256) is [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate?
The canonical SMILES for [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate is CC(=O)O[C@H](C)CC1(C)SCCCS1.
What is the InChIKey of [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate?
The InChIKey is WOMWRUHAMKRCPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-8(12-9(2)11)7-10(3)13-5-4-6-14-10/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate?
[(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate has a molecular weight of 234.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl] acetate is sourced from PubChem (CID 135011256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).