heptyl(trimethyl)-λ4-sulfane

C10H24S — CID 155014090

IUPACheptyl(trimethyl)-λ4-sulfane
SMILESCCCCCCCS(C)(C)C
InChIInChI=1S/C10H24S/c1-5-6-7-8-9-10-11(2,3)4/h5-10H2,1-4H3
InChIKeyALPCBDZOSZPJNF-UHFFFAOYSA-N
MW176.37 g/mol
LogP3.65
Rot. Bonds6

About heptyl(trimethyl)-λ4-sulfane

heptyl(trimethyl)-λ4-sulfane (PubChem CID 155014090) has the molecular formula C10H24S and a molecular weight of 176.37 g/mol. Its IUPAC name is heptyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Nameheptyl(trimethyl)-λ4-sulfane
PubChem CID155014090
Molecular FormulaC10H24S
Molecular Weight176.37 g/mol
Exact Mass176.16
IUPAC Nameheptyl(trimethyl)-λ4-sulfane
SMILESCCCCCCCS(C)(C)C
InChIInChI=1S/C10H24S/c1-5-6-7-8-9-10-11(2,3)4/h5-10H2,1-4H3
InChIKeyALPCBDZOSZPJNF-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.37
LogP ≤ 53.65
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

trihexyl(methyl)-λ4-sulfane
CID 138739733
trimethyl-[4-(trimethyl-λ4-sulfanyl)butyl]-λ4-sulfane
CID 135234709
butyl-heptyl-dimethyl-λ4-sulfane
CID 123547553
1-methylsulfonylnonane
CID 19089493
hydroxy-dimethyl-octadecyl-λ4-sulfane
CID 163231362
dichloro-hexyl-methyl-λ4-sulfane
CID 142899698
silver decane-1-sulfonate
CID 18615614
CID 21277428
CID 21277428
cesium hexane-1-sulfonate
CID 141317548
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of heptyl(trimethyl)-λ4-sulfane?
The IUPAC name of heptyl(trimethyl)-λ4-sulfane (CID 155014090) is heptyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for heptyl(trimethyl)-λ4-sulfane?
The canonical SMILES for heptyl(trimethyl)-λ4-sulfane is CCCCCCCS(C)(C)C.
What is the InChIKey of heptyl(trimethyl)-λ4-sulfane?
The InChIKey is ALPCBDZOSZPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24S/c1-5-6-7-8-9-10-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of heptyl(trimethyl)-λ4-sulfane?
heptyl(trimethyl)-λ4-sulfane has a molecular weight of 176.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 155014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).