(8-butyltetradecan-7-yldisulfanyl)benzene

C24H42S2 — CID 166789211

IUPAC(8-butyltetradecan-7-yldisulfanyl)benzene
SMILESCCCCCCC(CCCC)C(CCCCCC)SSc1ccccc1
InChIInChI=1S/C24H42S2/c1-4-7-10-13-18-22(17-9-6-3)24(21-16-11-8-5-2)26-25-23-19-14-12-15-20-23/h12,14-15,19-20,22,24H,4-11,13,16-18,21H2,1-3H3
InChIKeyKGKPJUVLFQYXGP-UHFFFAOYSA-N
MW394.73 g/mol
LogP9.54
Rot. Bonds17

About (8-butyltetradecan-7-yldisulfanyl)benzene

(8-butyltetradecan-7-yldisulfanyl)benzene (PubChem CID 166789211) has the molecular formula C24H42S2 and a molecular weight of 394.73 g/mol. Its IUPAC name is (8-butyltetradecan-7-yldisulfanyl)benzene.

Molecular Properties

Compound Name(8-butyltetradecan-7-yldisulfanyl)benzene
PubChem CID166789211
Molecular FormulaC24H42S2
Molecular Weight394.73 g/mol
Exact Mass394.27
IUPAC Name(8-butyltetradecan-7-yldisulfanyl)benzene
SMILESCCCCCCC(CCCC)C(CCCCCC)SSc1ccccc1
InChIInChI=1S/C24H42S2/c1-4-7-10-13-18-22(17-9-6-3)24(21-16-11-8-5-2)26-25-23-19-14-12-15-20-23/h12,14-15,19-20,22,24H,4-11,13,16-18,21H2,1-3H3
InChIKeyKGKPJUVLFQYXGP-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.73
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8-butyltetradecan-7-yldisulfanyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentadecan-3-ylsulfanylbenzene
CID 22237783
(2-ethyl-1-phenylsulfanylhexyl)sulfanylbenzene
CID 11002050
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-deuteriooctan-2-ylsulfanylbenzene
CID 45049198
1-chlorodecan-2-ylsulfanylbenzene
CID 24972409
1-phenylsulfanylundecan-2-ol
CID 65142065
10-phenyltetradecan-5-ylbenzene
CID 22891787
8,9-dibutylhexadecane
CID 530025
(2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid
CID 10682384
2-phenylsulfanyltetradecanoic acid
CID 15555175
dihexyl-(phenyldisulfanyl)phosphane
CID 141103524

Frequently Asked Questions

What is the IUPAC name of (8-butyltetradecan-7-yldisulfanyl)benzene?
The IUPAC name of (8-butyltetradecan-7-yldisulfanyl)benzene (CID 166789211) is (8-butyltetradecan-7-yldisulfanyl)benzene.
What is the SMILES notation for (8-butyltetradecan-7-yldisulfanyl)benzene?
The canonical SMILES for (8-butyltetradecan-7-yldisulfanyl)benzene is CCCCCCC(CCCC)C(CCCCCC)SSc1ccccc1.
What is the InChIKey of (8-butyltetradecan-7-yldisulfanyl)benzene?
The InChIKey is KGKPJUVLFQYXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42S2/c1-4-7-10-13-18-22(17-9-6-3)24(21-16-11-8-5-2)26-25-23-19-14-12-15-20-23/h12,14-15,19-20,22,24H,4-11,13,16-18,21H2,1-3H3.
What are the key properties of (8-butyltetradecan-7-yldisulfanyl)benzene?
(8-butyltetradecan-7-yldisulfanyl)benzene has a molecular weight of 394.73 g/mol, XLogP of 9.54, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-butyltetradecan-7-yldisulfanyl)benzene is sourced from PubChem (CID 166789211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).