1-chlorodecan-2-ylsulfanylbenzene

C16H25ClS — CID 24972409

IUPAC1-chlorodecan-2-ylsulfanylbenzene
SMILESCCCCCCCCC(CCl)Sc1ccccc1
InChIInChI=1S/C16H25ClS/c1-2-3-4-5-6-8-13-16(14-17)18-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3
InChIKeyXUNXGUINDAYYEZ-UHFFFAOYSA-N
MW284.90 g/mol
LogP6.14
Rot. Bonds10

About 1-chlorodecan-2-ylsulfanylbenzene

1-chlorodecan-2-ylsulfanylbenzene (PubChem CID 24972409) has the molecular formula C16H25ClS and a molecular weight of 284.90 g/mol. Its IUPAC name is 1-chlorodecan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-chlorodecan-2-ylsulfanylbenzene
PubChem CID24972409
Molecular FormulaC16H25ClS
Molecular Weight284.90 g/mol
Exact Mass284.14
IUPAC Name1-chlorodecan-2-ylsulfanylbenzene
SMILESCCCCCCCCC(CCl)Sc1ccccc1
InChIInChI=1S/C16H25ClS/c1-2-3-4-5-6-8-13-16(14-17)18-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3
InChIKeyXUNXGUINDAYYEZ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.90
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-chlorooctan-2-ylbenzene
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2-phenylsulfanylheptanoic acid
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(2-ethyl-1-phenylsulfanylhexyl)sulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chlorodecan-2-ylsulfanylbenzene?
The IUPAC name of 1-chlorodecan-2-ylsulfanylbenzene (CID 24972409) is 1-chlorodecan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-chlorodecan-2-ylsulfanylbenzene?
The canonical SMILES for 1-chlorodecan-2-ylsulfanylbenzene is CCCCCCCCC(CCl)Sc1ccccc1.
What is the InChIKey of 1-chlorodecan-2-ylsulfanylbenzene?
The InChIKey is XUNXGUINDAYYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClS/c1-2-3-4-5-6-8-13-16(14-17)18-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3.
What are the key properties of 1-chlorodecan-2-ylsulfanylbenzene?
1-chlorodecan-2-ylsulfanylbenzene has a molecular weight of 284.90 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorodecan-2-ylsulfanylbenzene is sourced from PubChem (CID 24972409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).