2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane

C12H16OS — CID 116863490

IUPAC2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane
SMILESCC(C)Sc1ccc(C2OC2C)cc1
InChIInChI=1S/C12H16OS/c1-8(2)14-11-6-4-10(5-7-11)12-9(3)13-12/h4-9,12H,1-3H3
InChIKeyZAZUIDXBORYCIK-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane

2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane (PubChem CID 116863490) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane
PubChem CID116863490
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane
SMILESCC(C)Sc1ccc(C2OC2C)cc1
InChIInChI=1S/C12H16OS/c1-8(2)14-11-6-4-10(5-7-11)12-9(3)13-12/h4-9,12H,1-3H3
InChIKeyZAZUIDXBORYCIK-UHFFFAOYSA-N
XLogP3.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.65
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

2-(4-propan-2-ylsulfanylphenyl)aziridine
CID 82469044
2-methyl-3-[4-(2-methylpropyl)phenyl]oxirane
CID 116863433
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
4-(3-methyloxiran-2-yl)benzenethiol
CID 130239844
2-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carbonitrile
CID 116836984
6-propan-2-ylsulfanylindolizine
CID 157404144
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115225597
N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
CID 117043923
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane?
The IUPAC name of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane (CID 116863490) is 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane is CC(C)Sc1ccc(C2OC2C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane?
The InChIKey is ZAZUIDXBORYCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8(2)14-11-6-4-10(5-7-11)12-9(3)13-12/h4-9,12H,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane?
2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane has a molecular weight of 208.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)oxirane is sourced from PubChem (CID 116863490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).