1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene

C22H14Cl4S — CID 140973292

IUPAC1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
SMILESClC(Cl)(SC(Cl)(Cl)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C22H14Cl4S/c23-21(24,19-13-5-9-15-7-1-3-11-17(15)19)27-22(25,26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyWBHNGPVVUNBDTL-UHFFFAOYSA-N
MW452.23 g/mol
LogP8.60
Rot. Bonds4

About 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene

1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene (PubChem CID 140973292) has the molecular formula C22H14Cl4S and a molecular weight of 452.23 g/mol. Its IUPAC name is 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene.

Molecular Properties

Compound Name1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
PubChem CID140973292
Molecular FormulaC22H14Cl4S
Molecular Weight452.23 g/mol
Exact Mass449.96
IUPAC Name1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
SMILESClC(Cl)(SC(Cl)(Cl)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C22H14Cl4S/c23-21(24,19-13-5-9-15-7-1-3-11-17(15)19)27-22(25,26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyWBHNGPVVUNBDTL-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.23
LogP ≤ 58.60
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

1-(trichloromethyl)naphthalene
CID 12791328
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
2-fluoro-1,1,2-trinaphthalen-1-ylethanol
CID 102110892
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313

Frequently Asked Questions

What is the IUPAC name of 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene?
The IUPAC name of 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene (CID 140973292) is 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene.
What is the SMILES notation for 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene?
The canonical SMILES for 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene is ClC(Cl)(SC(Cl)(Cl)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene?
The InChIKey is WBHNGPVVUNBDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4S/c23-21(24,19-13-5-9-15-7-1-3-11-17(15)19)27-22(25,26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene?
1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene has a molecular weight of 452.23 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene is sourced from PubChem (CID 140973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).