(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane

C9H9ClO2S — CID 130493487

IUPAC(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane
SMILESO=S(C[C@H]1CO1)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2S/c10-7-2-1-3-9(4-7)13(11)6-8-5-12-8/h1-4,8H,5-6H2/t8-,13?/m1/s1
InChIKeyPOUZGVWZMFFYAL-UOGPZTOASA-N
MW216.69 g/mol
LogP1.85
Rot. Bonds3

About (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane

(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane (PubChem CID 130493487) has the molecular formula C9H9ClO2S and a molecular weight of 216.69 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane
PubChem CID130493487
Molecular FormulaC9H9ClO2S
Molecular Weight216.69 g/mol
Exact Mass216.00
IUPAC Name(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane
SMILESO=S(C[C@H]1CO1)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2S/c10-7-2-1-3-9(4-7)13(11)6-8-5-12-8/h1-4,8H,5-6H2/t8-,13?/m1/s1
InChIKeyPOUZGVWZMFFYAL-UOGPZTOASA-N
XLogP1.85
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane?
The IUPAC name of (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane (CID 130493487) is (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane is O=S(C[C@H]1CO1)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane?
The InChIKey is POUZGVWZMFFYAL-UOGPZTOASA-N. The full InChI is InChI=1S/C9H9ClO2S/c10-7-2-1-3-9(4-7)13(11)6-8-5-12-8/h1-4,8H,5-6H2/t8-,13?/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane?
(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane has a molecular weight of 216.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane is sourced from PubChem (CID 130493487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).