bromo-diethyl-propyl-λ4-sulfane

C7H17BrS — CID 141102583

IUPACbromo-diethyl-propyl-λ4-sulfane
SMILESCCCS(Br)(CC)CC
InChIInChI=1S/C7H17BrS/c1-4-7-9(8,5-2)6-3/h4-7H2,1-3H3
InChIKeyOMHAUKILNDWTDS-UHFFFAOYSA-N
MW213.18 g/mol
LogP3.55
Rot. Bonds4

About bromo-diethyl-propyl-λ4-sulfane

bromo-diethyl-propyl-λ4-sulfane (PubChem CID 141102583) has the molecular formula C7H17BrS and a molecular weight of 213.18 g/mol. Its IUPAC name is bromo-diethyl-propyl-λ4-sulfane.

Molecular Properties

Compound Namebromo-diethyl-propyl-λ4-sulfane
PubChem CID141102583
Molecular FormulaC7H17BrS
Molecular Weight213.18 g/mol
Exact Mass212.02
IUPAC Namebromo-diethyl-propyl-λ4-sulfane
SMILESCCCS(Br)(CC)CC
InChIInChI=1S/C7H17BrS/c1-4-7-9(8,5-2)6-3/h4-7H2,1-3H3
InChIKeyOMHAUKILNDWTDS-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bromo-diethyl-propyl-λ4-sulfane?
The IUPAC name of bromo-diethyl-propyl-λ4-sulfane (CID 141102583) is bromo-diethyl-propyl-λ4-sulfane.
What is the SMILES notation for bromo-diethyl-propyl-λ4-sulfane?
The canonical SMILES for bromo-diethyl-propyl-λ4-sulfane is CCCS(Br)(CC)CC.
What is the InChIKey of bromo-diethyl-propyl-λ4-sulfane?
The InChIKey is OMHAUKILNDWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrS/c1-4-7-9(8,5-2)6-3/h4-7H2,1-3H3.
What are the key properties of bromo-diethyl-propyl-λ4-sulfane?
bromo-diethyl-propyl-λ4-sulfane has a molecular weight of 213.18 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-diethyl-propyl-λ4-sulfane is sourced from PubChem (CID 141102583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).