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

C9H10S — CID 134929070

IUPAC(2S,3R)-2-methyl-3-phenylthiirane
SMILESC[C@@H]1S[C@@H]1c1ccccc1
InChIInChI=1S/C9H10S/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1
InChIKeyMJNJRNCGQFMUOC-CBAPKCEASA-N
MW150.25 g/mol
LogP2.86
Rot. Bonds1

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

(2S,3R)-2-methyl-3-phenylthiirane (PubChem CID 134929070) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-phenylthiirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-phenylthiirane
PubChem CID134929070
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name(2S,3R)-2-methyl-3-phenylthiirane
SMILESC[C@@H]1S[C@@H]1c1ccccc1
InChIInChI=1S/C9H10S/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1
InChIKeyMJNJRNCGQFMUOC-CBAPKCEASA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 52.86
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-ethyl-3-phenylthiirane
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CID 11312637
methyl 3-phenylthiirane-2-carboxylate
CID 175667844
3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine
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(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
diphenyliodanium;ethane;methane
CID 159636739
5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 175254602
(2S,3S)-2-methyl-3-phenyl-1,4,5-oxathiazepane
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CID 12581977

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-phenylthiirane?
The IUPAC name of (2S,3R)-2-methyl-3-phenylthiirane (CID 134929070) is (2S,3R)-2-methyl-3-phenylthiirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-phenylthiirane?
The canonical SMILES for (2S,3R)-2-methyl-3-phenylthiirane is C[C@@H]1S[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-2-methyl-3-phenylthiirane?
The InChIKey is MJNJRNCGQFMUOC-CBAPKCEASA-N. The full InChI is InChI=1S/C9H10S/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-phenylthiirane?
(2S,3R)-2-methyl-3-phenylthiirane has a molecular weight of 150.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-phenylthiirane is sourced from PubChem (CID 134929070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).