[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene

C11H13ClOS — CID 97289805

IUPAC[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene
SMILESC[C@H]1[C@H](C)C1(Cl)[S@@](=O)c1ccccc1
InChIInChI=1S/C11H13ClOS/c1-8-9(2)11(8,12)14(13)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-,14-/m0/s1
InChIKeyDRPZLGXYIYMOSV-FZNYLWTLSA-N
MW228.74 g/mol
LogP3.02
Rot. Bonds2

About [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene

[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene (PubChem CID 97289805) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene.

Molecular Properties

Compound Name[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene
PubChem CID97289805
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene
SMILESC[C@H]1[C@H](C)C1(Cl)[S@@](=O)c1ccccc1
InChIInChI=1S/C11H13ClOS/c1-8-9(2)11(8,12)14(13)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-,14-/m0/s1
InChIKeyDRPZLGXYIYMOSV-FZNYLWTLSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene?
The IUPAC name of [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene (CID 97289805) is [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene.
What is the SMILES notation for [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene?
The canonical SMILES for [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene is C[C@H]1[C@H](C)C1(Cl)[S@@](=O)c1ccccc1.
What is the InChIKey of [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene?
The InChIKey is DRPZLGXYIYMOSV-FZNYLWTLSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-8-9(2)11(8,12)14(13)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-,14-/m0/s1.
What are the key properties of [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene?
[(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene has a molecular weight of 228.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(2S,3S)-1-chloro-2,3-dimethylcyclopropyl]sulfinyl]benzene is sourced from PubChem (CID 97289805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).