(2S,3R)-2-ethyl-3-phenylthiirane

C10H12S — CID 134927560

IUPAC(2S,3R)-2-ethyl-3-phenylthiirane
SMILESCC[C@@H]1S[C@@H]1c1ccccc1
InChIInChI=1S/C10H12S/c1-2-9-10(11-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m0/s1
InChIKeyZHEKIJLMKRZJFH-VHSXEESVSA-N
MW164.27 g/mol
LogP3.25
Rot. Bonds2

About (2S,3R)-2-ethyl-3-phenylthiirane

(2S,3R)-2-ethyl-3-phenylthiirane (PubChem CID 134927560) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-phenylthiirane.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-phenylthiirane
PubChem CID134927560
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name(2S,3R)-2-ethyl-3-phenylthiirane
SMILESCC[C@@H]1S[C@@H]1c1ccccc1
InChIInChI=1S/C10H12S/c1-2-9-10(11-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m0/s1
InChIKeyZHEKIJLMKRZJFH-VHSXEESVSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
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[3-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)thian-2-yl]phenyl]methanol
CID 58239044
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
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CID 62354556
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
16-phenyl-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 11312637
benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
CID 163918485
methyl 3-phenylthiirane-2-carboxylate
CID 175667844
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CID 90861705
4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
CID 22220894
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-phenylthiirane?
The IUPAC name of (2S,3R)-2-ethyl-3-phenylthiirane (CID 134927560) is (2S,3R)-2-ethyl-3-phenylthiirane.
What is the SMILES notation for (2S,3R)-2-ethyl-3-phenylthiirane?
The canonical SMILES for (2S,3R)-2-ethyl-3-phenylthiirane is CC[C@@H]1S[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-2-ethyl-3-phenylthiirane?
The InChIKey is ZHEKIJLMKRZJFH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12S/c1-2-9-10(11-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-3-phenylthiirane?
(2S,3R)-2-ethyl-3-phenylthiirane has a molecular weight of 164.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-phenylthiirane is sourced from PubChem (CID 134927560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).