propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate

C10H18O3S — CID 103847391

IUPACpropan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSC1CCOC1C
InChIInChI=1S/C10H18O3S/c1-7(2)13-10(11)6-14-9-4-5-12-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyNNXCRCJFLZETAF-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.85
Rot. Bonds4

About propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate

propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate (PubChem CID 103847391) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
PubChem CID103847391
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Namepropan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
SMILESCC(C)OC(=O)CSC1CCOC1C
InChIInChI=1S/C10H18O3S/c1-7(2)13-10(11)6-14-9-4-5-12-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyNNXCRCJFLZETAF-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropane-1-thiol
CID 107766412
2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 124598335
2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine
CID 107754092
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
4-(2-methyloxolan-3-yl)sulfanylpentan-2-one
CID 19878871
N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
CID 107762583
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752371
1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752409

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate (CID 103847391) is propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate is CC(C)OC(=O)CSC1CCOC1C.
What is the InChIKey of propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate?
The InChIKey is NNXCRCJFLZETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-7(2)13-10(11)6-14-9-4-5-12-8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate?
propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate has a molecular weight of 218.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate is sourced from PubChem (CID 103847391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).