2-methyl-3-(2-thiophen-3-ylethyl)oxirane

C9H12OS — CID 83927729

IUPAC2-methyl-3-(2-thiophen-3-ylethyl)oxirane
SMILESCC1OC1CCc1ccsc1
InChIInChI=1S/C9H12OS/c1-7-9(10-7)3-2-8-4-5-11-6-8/h4-7,9H,2-3H2,1H3
InChIKeyNGVQGJOSBYNYOR-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-3-(2-thiophen-3-ylethyl)oxirane

2-methyl-3-(2-thiophen-3-ylethyl)oxirane (PubChem CID 83927729) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-methyl-3-(2-thiophen-3-ylethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(2-thiophen-3-ylethyl)oxirane
PubChem CID83927729
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-methyl-3-(2-thiophen-3-ylethyl)oxirane
SMILESCC1OC1CCc1ccsc1
InChIInChI=1S/C9H12OS/c1-7-9(10-7)3-2-8-4-5-11-6-8/h4-7,9H,2-3H2,1H3
InChIKeyNGVQGJOSBYNYOR-UHFFFAOYSA-N
XLogP2.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopropylethyl)thiophene
CID 159324839
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
3-[2-(3-methyloxiran-2-yl)ethyl]phenol
CID 83930331
azane;3-propylthiophene
CID 174446539
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
2-methyl-3-(2-thiophen-3-ylpropyl)oxirane
CID 83927734
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
CID 83932245
N-ethyl-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504261
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
3-heptylthiophene;3-hexylthiophene
CID 159152668
N-methyl-1-[2-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 81034577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-thiophen-3-ylethyl)oxirane?
The IUPAC name of 2-methyl-3-(2-thiophen-3-ylethyl)oxirane (CID 83927729) is 2-methyl-3-(2-thiophen-3-ylethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(2-thiophen-3-ylethyl)oxirane?
The canonical SMILES for 2-methyl-3-(2-thiophen-3-ylethyl)oxirane is CC1OC1CCc1ccsc1.
What is the InChIKey of 2-methyl-3-(2-thiophen-3-ylethyl)oxirane?
The InChIKey is NGVQGJOSBYNYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-7-9(10-7)3-2-8-4-5-11-6-8/h4-7,9H,2-3H2,1H3.
What are the key properties of 2-methyl-3-(2-thiophen-3-ylethyl)oxirane?
2-methyl-3-(2-thiophen-3-ylethyl)oxirane has a molecular weight of 168.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-thiophen-3-ylethyl)oxirane is sourced from PubChem (CID 83927729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).