ethane;2-[(2-methylphenoxy)methyl]thiirane

C12H18OS — CID 144517451

IUPACethane;2-[(2-methylphenoxy)methyl]thiirane
SMILESCC.Cc1ccccc1OCC1CS1
InChIInChI=1S/C10H12OS.C2H6/c1-8-4-2-3-5-10(8)11-6-9-7-12-9;1-2/h2-5,9H,6-7H2,1H3;1-2H3
InChIKeyYKGQWDRWHIWAQZ-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.52
Rot. Bonds3

About ethane;2-[(2-methylphenoxy)methyl]thiirane

ethane;2-[(2-methylphenoxy)methyl]thiirane (PubChem CID 144517451) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is ethane;2-[(2-methylphenoxy)methyl]thiirane.

Molecular Properties

Compound Nameethane;2-[(2-methylphenoxy)methyl]thiirane
PubChem CID144517451
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Nameethane;2-[(2-methylphenoxy)methyl]thiirane
SMILESCC.Cc1ccccc1OCC1CS1
InChIInChI=1S/C10H12OS.C2H6/c1-8-4-2-3-5-10(8)11-6-9-7-12-9;1-2/h2-5,9H,6-7H2,1H3;1-2H3
InChIKeyYKGQWDRWHIWAQZ-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.52
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

(2S)-2-[[2-[2-[2-[2-[[(2S)-thiiran-2-yl]methoxy]phenoxy]ethoxy]ethoxy]phenoxy]methyl]thiirane
CID 122396205
2-(naphthalen-1-yloxymethyl)thiirane
CID 13117161
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
CID 89175993
1-tert-butyl-2,5-bis[(2-methylphenoxy)methyl]pyrrolidine
CID 170173282
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-methylphenoxy)methyl]thiirane?
The IUPAC name of ethane;2-[(2-methylphenoxy)methyl]thiirane (CID 144517451) is ethane;2-[(2-methylphenoxy)methyl]thiirane.
What is the SMILES notation for ethane;2-[(2-methylphenoxy)methyl]thiirane?
The canonical SMILES for ethane;2-[(2-methylphenoxy)methyl]thiirane is CC.Cc1ccccc1OCC1CS1.
What is the InChIKey of ethane;2-[(2-methylphenoxy)methyl]thiirane?
The InChIKey is YKGQWDRWHIWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS.C2H6/c1-8-4-2-3-5-10(8)11-6-9-7-12-9;1-2/h2-5,9H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;2-[(2-methylphenoxy)methyl]thiirane?
ethane;2-[(2-methylphenoxy)methyl]thiirane has a molecular weight of 210.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-methylphenoxy)methyl]thiirane is sourced from PubChem (CID 144517451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).