3-(2-bromoethylsulfanylmethyl)-3-methyloxetane

C7H13BrOS — CID 126622493

IUPAC3-(2-bromoethylsulfanylmethyl)-3-methyloxetane
SMILESCC1(CSCCBr)COC1
InChIInChI=1S/C7H13BrOS/c1-7(4-9-5-7)6-10-3-2-8/h2-6H2,1H3
InChIKeyRIFZVZGESYRVLB-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane

3-(2-bromoethylsulfanylmethyl)-3-methyloxetane (PubChem CID 126622493) has the molecular formula C7H13BrOS and a molecular weight of 225.15 g/mol. Its IUPAC name is 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(2-bromoethylsulfanylmethyl)-3-methyloxetane
PubChem CID126622493
Molecular FormulaC7H13BrOS
Molecular Weight225.15 g/mol
Exact Mass223.99
IUPAC Name3-(2-bromoethylsulfanylmethyl)-3-methyloxetane
SMILESCC1(CSCCBr)COC1
InChIInChI=1S/C7H13BrOS/c1-7(4-9-5-7)6-10-3-2-8/h2-6H2,1H3
InChIKeyRIFZVZGESYRVLB-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
CID 158320747
ethane;3-ethyl-3-methyloxetane;methanamine
CID 142501771
6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
CID 167952288
3-[(3-methyloxetan-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 130702996
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425300
ethoxyethane;bis(3-ethyl-3-methyloxetane)
CID 69107324
2-(2-methoxyethylsulfanylmethyl)-2-methyloxirane
CID 66336742
3,3,4,4-tetrafluorooxolane
CID 2782427
3-methyl-3-octyloxetane
CID 162658167
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane?
The IUPAC name of 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane (CID 126622493) is 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane.
What is the SMILES notation for 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane?
The canonical SMILES for 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane is CC1(CSCCBr)COC1.
What is the InChIKey of 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane?
The InChIKey is RIFZVZGESYRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrOS/c1-7(4-9-5-7)6-10-3-2-8/h2-6H2,1H3.
What are the key properties of 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane?
3-(2-bromoethylsulfanylmethyl)-3-methyloxetane has a molecular weight of 225.15 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethylsulfanylmethyl)-3-methyloxetane is sourced from PubChem (CID 126622493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).