1-bromo-6-propylsulfanylhexane

C9H19BrS — CID 14464510

IUPAC1-bromo-6-propylsulfanylhexane
SMILESCCCSCCCCCCBr
InChIInChI=1S/C9H19BrS/c1-2-8-11-9-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyUFDTWQSQSWAANW-UHFFFAOYSA-N
MW239.22 g/mol
LogP4.08
Rot. Bonds8

About 1-bromo-6-propylsulfanylhexane

1-bromo-6-propylsulfanylhexane (PubChem CID 14464510) has the molecular formula C9H19BrS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-bromo-6-propylsulfanylhexane.

Molecular Properties

Compound Name1-bromo-6-propylsulfanylhexane
PubChem CID14464510
Molecular FormulaC9H19BrS
Molecular Weight239.22 g/mol
Exact Mass238.04
IUPAC Name1-bromo-6-propylsulfanylhexane
SMILESCCCSCCCCCCBr
InChIInChI=1S/C9H19BrS/c1-2-8-11-9-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyUFDTWQSQSWAANW-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 54.08
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-(ethylsulfanyl)propane
CID 13124164
1-Bromo-5-(methylsulfanyl)pentane
CID 13839965
1-Bromo-5-(ethylsulfanyl)pentane
CID 13839966
1-Bromo-6-(methylsulfanyl)hexane
CID 14312893
1-Bromo-3-(propylthio)propane
CID 15158815
1-Bromo-4-(tert-butylsulfanyl)butane
CID 43445845
1-Bromo-4-(ethylsulfanyl)butane
CID 43445853
1-Bromo-2-ethylthiohexane
CID 129724281
2-Bromoethyl octyl sulfide
CID 12943309
Propane, 1-bromo-3-[(1-methylethyl)thio]-
CID 13839964
1-Bromo-5-propan-2-ylsulfanylpentane
CID 13839967
(5-Bromopentyl)(tert-butyl)sulfane
CID 13839968

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-propylsulfanylhexane?
The IUPAC name of 1-bromo-6-propylsulfanylhexane (CID 14464510) is 1-bromo-6-propylsulfanylhexane.
What is the SMILES notation for 1-bromo-6-propylsulfanylhexane?
The canonical SMILES for 1-bromo-6-propylsulfanylhexane is CCCSCCCCCCBr.
What is the InChIKey of 1-bromo-6-propylsulfanylhexane?
The InChIKey is UFDTWQSQSWAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrS/c1-2-8-11-9-6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of 1-bromo-6-propylsulfanylhexane?
1-bromo-6-propylsulfanylhexane has a molecular weight of 239.22 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-propylsulfanylhexane is sourced from PubChem (CID 14464510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).