1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane

C10H19BrS — CID 65002459

IUPAC1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
SMILESCCSCC1(CBr)CCCCC1
InChIInChI=1S/C10H19BrS/c1-2-12-9-10(8-11)6-4-3-5-7-10/h2-9H2,1H3
InChIKeyDQIQWWXIPORQCM-UHFFFAOYSA-N
MW251.23 g/mol
LogP4.08
Rot. Bonds4

About 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane

1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane (PubChem CID 65002459) has the molecular formula C10H19BrS and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
PubChem CID65002459
Molecular FormulaC10H19BrS
Molecular Weight251.23 g/mol
Exact Mass250.04
IUPAC Name1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
SMILESCCSCC1(CBr)CCCCC1
InChIInChI=1S/C10H19BrS/c1-2-12-9-10(8-11)6-4-3-5-7-10/h2-9H2,1H3
InChIKeyDQIQWWXIPORQCM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(2-methylbutylsulfanylmethyl)cyclohexane
CID 107746923
1-(bromomethyl)-1-(butan-2-ylsulfanylmethyl)cycloheptane
CID 65010507
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-[[1-(bromomethyl)cyclohexyl]methylsulfanylmethyl]-4-chlorobenzene
CID 114790082
[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
CID 65001405
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
CID 82935181
1-[[1-(bromomethyl)cyclopentyl]methylsulfanylmethyl]-4-chlorobenzene
CID 114790088
1,1-diethylcyclohexane;ethane
CID 142116480
1,1-bis(bromomethyl)cyclobutane
CID 12651155
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
4-[[1-(bromomethyl)cycloheptyl]methylsulfanyl]oxane
CID 65010558

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane (CID 65002459) is 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane is CCSCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane?
The InChIKey is DQIQWWXIPORQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrS/c1-2-12-9-10(8-11)6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane?
1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane has a molecular weight of 251.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane is sourced from PubChem (CID 65002459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).