2-(1-phenylsulfanylethenyl)oxirane

C10H10OS — CID 11378835

IUPAC2-(1-phenylsulfanylethenyl)oxirane
SMILESC=C(Sc1ccccc1)C1CO1
InChIInChI=1S/C10H10OS/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h2-6,10H,1,7H2
InChIKeyNXROPNZPQUXXDF-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.69
Rot. Bonds3

About 2-(1-phenylsulfanylethenyl)oxirane

2-(1-phenylsulfanylethenyl)oxirane (PubChem CID 11378835) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1-phenylsulfanylethenyl)oxirane.

Molecular Properties

Compound Name2-(1-phenylsulfanylethenyl)oxirane
PubChem CID11378835
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(1-phenylsulfanylethenyl)oxirane
SMILESC=C(Sc1ccccc1)C1CO1
InChIInChI=1S/C10H10OS/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h2-6,10H,1,7H2
InChIKeyNXROPNZPQUXXDF-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.69
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-((Phenylsulfanyl)methyl)oxirane
CID 11094998
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223
2-[(Phenylsulfinyl)methyl]oxirane
CID 545144
2,5-Dimethyl-4-phenylsulfanyl-2,3-dihydrofuran
CID 10845967
[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
(2S)-1-phenylthio-2,3-epoxypropane
CID 12347320
[(1-Methoxycyclopropyl)sulfanyl]benzene
CID 12658882
5-Ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
2-Phenylsulfanyl-3-(trifluoromethyl)oxirane
CID 144079847
2,2-Dimethyl-3-(phenylsulfanylmethyl)oxirane
CID 85685680
tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
CID 11975278
Benzene, [(2-methoxy-1-methylene-2-propenyl)thio]-
CID 12291781

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylethenyl)oxirane?
The IUPAC name of 2-(1-phenylsulfanylethenyl)oxirane (CID 11378835) is 2-(1-phenylsulfanylethenyl)oxirane.
What is the SMILES notation for 2-(1-phenylsulfanylethenyl)oxirane?
The canonical SMILES for 2-(1-phenylsulfanylethenyl)oxirane is C=C(Sc1ccccc1)C1CO1.
What is the InChIKey of 2-(1-phenylsulfanylethenyl)oxirane?
The InChIKey is NXROPNZPQUXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h2-6,10H,1,7H2.
What are the key properties of 2-(1-phenylsulfanylethenyl)oxirane?
2-(1-phenylsulfanylethenyl)oxirane has a molecular weight of 178.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylethenyl)oxirane is sourced from PubChem (CID 11378835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).