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

C11H13ClOS — CID 97289800

IUPAC[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene
SMILESCC1(C)C[C@]1(Cl)[S@@](=O)c1ccccc1
InChIInChI=1S/C11H13ClOS/c1-10(2)8-11(10,12)14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/t11-,14-/m0/s1
InChIKeyLDYHZLISFHJPKZ-FZMZJTMJSA-N
MW228.74 g/mol
LogP3.16
Rot. Bonds2

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

[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene (PubChem CID 97289800) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene.

Molecular Properties

Compound Name[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene
PubChem CID97289800
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene
SMILESCC1(C)C[C@]1(Cl)[S@@](=O)c1ccccc1
InChIInChI=1S/C11H13ClOS/c1-10(2)8-11(10,12)14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/t11-,14-/m0/s1
InChIKeyLDYHZLISFHJPKZ-FZMZJTMJSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 138141
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CID 12585995
[(1,2-Dimethyl-1-propenyl)sulfinyl]benzene
CID 535232
2-Chloroprop-2-enylsulfinylbenzene
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2-Chloro-2-methyl-3-phenylthiobutane
CID 12366005
(1-Chloro-3-methylpenta-1,2-dienyl)sulfonylbenzene
CID 134922038
(S)-tert-butyl phenyl sulfoxide
CID 9581474
[(R)-tert-butylsulfinyl]benzene
CID 11148098
Prop-1-en-2-ylsulfinylbenzene
CID 13967809
1-Chloroethenylsulfinylbenzene
CID 15258242
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CID 57242234

Frequently Asked Questions

What is the IUPAC name of [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene?
The IUPAC name of [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene (CID 97289800) is [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene.
What is the SMILES notation for [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene?
The canonical SMILES for [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene is CC1(C)C[C@]1(Cl)[S@@](=O)c1ccccc1.
What is the InChIKey of [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene?
The InChIKey is LDYHZLISFHJPKZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-10(2)8-11(10,12)14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene?
[(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene has a molecular weight of 228.74 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(1R)-1-chloro-2,2-dimethylcyclopropyl]sulfinyl]benzene is sourced from PubChem (CID 97289800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).