4-bromo-2-(cyclohexylsulfanylmethyl)thiophene

C11H15BrS2 — CID 63457423

IUPAC4-bromo-2-(cyclohexylsulfanylmethyl)thiophene
SMILESBrc1csc(CSC2CCCCC2)c1
InChIInChI=1S/C11H15BrS2/c12-9-6-11(13-7-9)8-14-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyBRZDMFLJMAEVDC-UHFFFAOYSA-N
MW291.28 g/mol
LogP5.08
Rot. Bonds3

About 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene

4-bromo-2-(cyclohexylsulfanylmethyl)thiophene (PubChem CID 63457423) has the molecular formula C11H15BrS2 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(cyclohexylsulfanylmethyl)thiophene
PubChem CID63457423
Molecular FormulaC11H15BrS2
Molecular Weight291.28 g/mol
Exact Mass289.98
IUPAC Name4-bromo-2-(cyclohexylsulfanylmethyl)thiophene
SMILESBrc1csc(CSC2CCCCC2)c1
InChIInChI=1S/C11H15BrS2/c12-9-6-11(13-7-9)8-14-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyBRZDMFLJMAEVDC-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.28
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-cyclohexylsulfanylpropan-2-one
CID 65139576
2-(cyclopentylsulfanylmethyl)thiophene
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2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690
4-bromo-2-(cyclohexylmethoxymethyl)thiophene
CID 55219959
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643
5-bromo-2-(cyclohexylsulfanylmethyl)pyridine
CID 115622306
N-[(4-bromothiophen-2-yl)methyl]-2-cyclohexylsulfonylethanamine
CID 106513036
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
3-[(4-bromothiophen-2-yl)methyl]-3-cyclopentylazetidine
CID 112571345

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene?
The IUPAC name of 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene (CID 63457423) is 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene?
The canonical SMILES for 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene is Brc1csc(CSC2CCCCC2)c1.
What is the InChIKey of 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene?
The InChIKey is BRZDMFLJMAEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS2/c12-9-6-11(13-7-9)8-14-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2.
What are the key properties of 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene?
4-bromo-2-(cyclohexylsulfanylmethyl)thiophene has a molecular weight of 291.28 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclohexylsulfanylmethyl)thiophene is sourced from PubChem (CID 63457423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).