butyl-dihexyl-iodo-λ4-sulfane

C16H35IS — CID 141102375

IUPACbutyl-dihexyl-iodo-λ4-sulfane
SMILESCCCCCCS(I)(CCCC)CCCCCC
InChIInChI=1S/C16H35IS/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3
InChIKeyGPLSYYNCBYCSMU-UHFFFAOYSA-N
MW386.43 g/mol
LogP7.10
Rot. Bonds13

About butyl-dihexyl-iodo-λ4-sulfane

butyl-dihexyl-iodo-λ4-sulfane (PubChem CID 141102375) has the molecular formula C16H35IS and a molecular weight of 386.43 g/mol. Its IUPAC name is butyl-dihexyl-iodo-λ4-sulfane.

Molecular Properties

Compound Namebutyl-dihexyl-iodo-λ4-sulfane
PubChem CID141102375
Molecular FormulaC16H35IS
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Namebutyl-dihexyl-iodo-λ4-sulfane
SMILESCCCCCCS(I)(CCCC)CCCCCC
InChIInChI=1S/C16H35IS/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3
InChIKeyGPLSYYNCBYCSMU-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-dihexyl-iodo-λ4-sulfane?
The IUPAC name of butyl-dihexyl-iodo-λ4-sulfane (CID 141102375) is butyl-dihexyl-iodo-λ4-sulfane.
What is the SMILES notation for butyl-dihexyl-iodo-λ4-sulfane?
The canonical SMILES for butyl-dihexyl-iodo-λ4-sulfane is CCCCCCS(I)(CCCC)CCCCCC.
What is the InChIKey of butyl-dihexyl-iodo-λ4-sulfane?
The InChIKey is GPLSYYNCBYCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35IS/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3.
What are the key properties of butyl-dihexyl-iodo-λ4-sulfane?
butyl-dihexyl-iodo-λ4-sulfane has a molecular weight of 386.43 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dihexyl-iodo-λ4-sulfane is sourced from PubChem (CID 141102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).