1-bromo-6-tert-butylsulfanylhexane

C10H21BrS — CID 134882579

IUPAC1-bromo-6-tert-butylsulfanylhexane
SMILESCC(C)(C)SCCCCCCBr
InChIInChI=1S/C10H21BrS/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyOJZLGOZMYMQBMH-UHFFFAOYSA-N
MW253.25 g/mol
LogP4.47
Rot. Bonds6

About 1-bromo-6-tert-butylsulfanylhexane

1-bromo-6-tert-butylsulfanylhexane (PubChem CID 134882579) has the molecular formula C10H21BrS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-bromo-6-tert-butylsulfanylhexane.

Molecular Properties

Compound Name1-bromo-6-tert-butylsulfanylhexane
PubChem CID134882579
Molecular FormulaC10H21BrS
Molecular Weight253.25 g/mol
Exact Mass252.05
IUPAC Name1-bromo-6-tert-butylsulfanylhexane
SMILESCC(C)(C)SCCCCCCBr
InChIInChI=1S/C10H21BrS/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyOJZLGOZMYMQBMH-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-3-(tert-butylsulfanyl)propane
CID 15323068
1-Bromo-5-(ethylsulfanyl)pentane
CID 13839966
1-Bromo-6-(methylsulfanyl)hexane
CID 14312893
1-Bromo-4-(tert-butylsulfanyl)butane
CID 43445845
1-Bromo-2-ethylthiohexane
CID 129724281
2-Bromoethyl octyl sulfide
CID 12943309
1-Bromo-5-propan-2-ylsulfanylpentane
CID 13839967
(5-Bromopentyl)(tert-butyl)sulfane
CID 13839968
1-Bromo-6-ethylsulfanylhexane
CID 13839970
1-Bromo-6-propylsulfanylhexane
CID 14464510
1-Bromo-5-propylsulfanylpentane
CID 64203574
1-Bromo-6-propan-2-ylsulfanylhexane
CID 85584522

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-tert-butylsulfanylhexane?
The IUPAC name of 1-bromo-6-tert-butylsulfanylhexane (CID 134882579) is 1-bromo-6-tert-butylsulfanylhexane.
What is the SMILES notation for 1-bromo-6-tert-butylsulfanylhexane?
The canonical SMILES for 1-bromo-6-tert-butylsulfanylhexane is CC(C)(C)SCCCCCCBr.
What is the InChIKey of 1-bromo-6-tert-butylsulfanylhexane?
The InChIKey is OJZLGOZMYMQBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrS/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3.
What are the key properties of 1-bromo-6-tert-butylsulfanylhexane?
1-bromo-6-tert-butylsulfanylhexane has a molecular weight of 253.25 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-tert-butylsulfanylhexane is sourced from PubChem (CID 134882579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).