1-(4-bromophenyl)cyclobutane-1-thiol

C10H11BrS — CID 170060099

IUPAC1-(4-bromophenyl)cyclobutane-1-thiol
SMILESSC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C10H11BrS/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5,12H,1,6-7H2
InChIKeyOOJOQGHVGXFYNV-UHFFFAOYSA-N
MW243.17 g/mol
LogP3.76
Rot. Bonds1

About 1-(4-bromophenyl)cyclobutane-1-thiol

1-(4-bromophenyl)cyclobutane-1-thiol (PubChem CID 170060099) has the molecular formula C10H11BrS and a molecular weight of 243.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclobutane-1-thiol.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclobutane-1-thiol
PubChem CID170060099
Molecular FormulaC10H11BrS
Molecular Weight243.17 g/mol
Exact Mass241.98
IUPAC Name1-(4-bromophenyl)cyclobutane-1-thiol
SMILESSC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C10H11BrS/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5,12H,1,6-7H2
InChIKeyOOJOQGHVGXFYNV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclobutane-1-thiol?
The IUPAC name of 1-(4-bromophenyl)cyclobutane-1-thiol (CID 170060099) is 1-(4-bromophenyl)cyclobutane-1-thiol.
What is the SMILES notation for 1-(4-bromophenyl)cyclobutane-1-thiol?
The canonical SMILES for 1-(4-bromophenyl)cyclobutane-1-thiol is SC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)cyclobutane-1-thiol?
The InChIKey is OOJOQGHVGXFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrS/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5,12H,1,6-7H2.
What are the key properties of 1-(4-bromophenyl)cyclobutane-1-thiol?
1-(4-bromophenyl)cyclobutane-1-thiol has a molecular weight of 243.17 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclobutane-1-thiol is sourced from PubChem (CID 170060099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).