2-(1-phenylsulfanylcyclohexyl)oxirane

C14H18OS — CID 15456623

IUPAC2-(1-phenylsulfanylcyclohexyl)oxirane
SMILESc1ccc(SC2(C3CO3)CCCCC2)cc1
InChIInChI=1S/C14H18OS/c1-3-7-12(8-4-1)16-14(13-11-15-13)9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyNHIJDAMQCIPXCI-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.88
Rot. Bonds3

About 2-(1-phenylsulfanylcyclohexyl)oxirane

2-(1-phenylsulfanylcyclohexyl)oxirane (PubChem CID 15456623) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(1-phenylsulfanylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-(1-phenylsulfanylcyclohexyl)oxirane
PubChem CID15456623
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-(1-phenylsulfanylcyclohexyl)oxirane
SMILESc1ccc(SC2(C3CO3)CCCCC2)cc1
InChIInChI=1S/C14H18OS/c1-3-7-12(8-4-1)16-14(13-11-15-13)9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyNHIJDAMQCIPXCI-UHFFFAOYSA-N
XLogP3.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.88
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

1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
CID 298574
1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
(1S,4S,6R)-1-methyl-4-phenylsulfanyl-7-oxabicyclo[4.1.0]heptane
CID 154716659
[4-(Trifluoromethoxy)cyclohexyl]methylsulfanylbenzene
CID 140478153
Oxirane, 2,2-dimethyl-3-[3,7-dimethyl-9-(phenylthio)-3,7-nonadienyl]
CID 5367552
2-Cyclohexyl-2-phenylsulfanylethanol
CID 69954408
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
(2R)-2-[(2R)-2-methyl-4-phenylsulfanylbutyl]oxirane
CID 11276103
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
1-(1-Methoxycyclohexyl)ethenylsulfanylbenzene
CID 11673221

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylcyclohexyl)oxirane?
The IUPAC name of 2-(1-phenylsulfanylcyclohexyl)oxirane (CID 15456623) is 2-(1-phenylsulfanylcyclohexyl)oxirane.
What is the SMILES notation for 2-(1-phenylsulfanylcyclohexyl)oxirane?
The canonical SMILES for 2-(1-phenylsulfanylcyclohexyl)oxirane is c1ccc(SC2(C3CO3)CCCCC2)cc1.
What is the InChIKey of 2-(1-phenylsulfanylcyclohexyl)oxirane?
The InChIKey is NHIJDAMQCIPXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-3-7-12(8-4-1)16-14(13-11-15-13)9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 2-(1-phenylsulfanylcyclohexyl)oxirane?
2-(1-phenylsulfanylcyclohexyl)oxirane has a molecular weight of 234.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylcyclohexyl)oxirane is sourced from PubChem (CID 15456623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).