1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene

C14H12Cl2S — CID 23240286

IUPAC1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene
SMILESC[C@@H]1[C@@H](Sc2cccc3ccccc23)C1(Cl)Cl
InChIInChI=1S/C14H12Cl2S/c1-9-13(14(9,15)16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,1H3/t9-,13-/m1/s1
InChIKeyJCLVCZSSCBZGRV-NOZJJQNGSA-N
MW283.22 g/mol
LogP5.12
Rot. Bonds2

About 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene

1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene (PubChem CID 23240286) has the molecular formula C14H12Cl2S and a molecular weight of 283.22 g/mol. Its IUPAC name is 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene.

Molecular Properties

Compound Name1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene
PubChem CID23240286
Molecular FormulaC14H12Cl2S
Molecular Weight283.22 g/mol
Exact Mass282.00
IUPAC Name1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene
SMILESC[C@@H]1[C@@H](Sc2cccc3ccccc23)C1(Cl)Cl
InChIInChI=1S/C14H12Cl2S/c1-9-13(14(9,15)16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,1H3/t9-,13-/m1/s1
InChIKeyJCLVCZSSCBZGRV-NOZJJQNGSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.22
LogP ≤ 55.12
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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1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
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3-naphthalen-1-ylsulfanylbenzene-1,2-diol
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1-butan-2-ylsulfanylnaphthalene
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1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene
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methyl 4-(naphthalen-1-ylsulfanylmethyl)benzoate
CID 126179692
2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
CID 70015701
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chloromethane;ethane;naphthalen-1-ol
CID 144848699

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene?
The IUPAC name of 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene (CID 23240286) is 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene.
What is the SMILES notation for 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene?
The canonical SMILES for 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene is C[C@@H]1[C@@H](Sc2cccc3ccccc23)C1(Cl)Cl.
What is the InChIKey of 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene?
The InChIKey is JCLVCZSSCBZGRV-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H12Cl2S/c1-9-13(14(9,15)16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,1H3/t9-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene?
1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene has a molecular weight of 283.22 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]sulfanylnaphthalene is sourced from PubChem (CID 23240286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).