dodecylbenzene;sulfane

C18H32S — CID 20560423

IUPACdodecylbenzene;sulfane
SMILESCCCCCCCCCCCCc1ccccc1.S
InChIInChI=1S/C18H30.H2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H2
InChIKeyZARVZDVCHXBAMF-UHFFFAOYSA-N
MW280.52 g/mol
LogP6.26
Rot. Bonds11

About dodecylbenzene;sulfane

dodecylbenzene;sulfane (PubChem CID 20560423) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is dodecylbenzene;sulfane.

Molecular Properties

Compound Namedodecylbenzene;sulfane
PubChem CID20560423
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Namedodecylbenzene;sulfane
SMILESCCCCCCCCCCCCc1ccccc1.S
InChIInChI=1S/C18H30.H2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H2
InChIKeyZARVZDVCHXBAMF-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097
magnesium;ethane;heptylbenzene;bromide
CID 175337230

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;sulfane?
The IUPAC name of dodecylbenzene;sulfane (CID 20560423) is dodecylbenzene;sulfane.
What is the SMILES notation for dodecylbenzene;sulfane?
The canonical SMILES for dodecylbenzene;sulfane is CCCCCCCCCCCCc1ccccc1.S.
What is the InChIKey of dodecylbenzene;sulfane?
The InChIKey is ZARVZDVCHXBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.H2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H2.
What are the key properties of dodecylbenzene;sulfane?
dodecylbenzene;sulfane has a molecular weight of 280.52 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;sulfane is sourced from PubChem (CID 20560423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).