2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane

C11H11BrS — CID 175060920

IUPAC2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane
SMILESCSC12CC1C2c1ccc(Br)cc1
InChIInChI=1S/C11H11BrS/c1-13-11-6-9(11)10(11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeySQPREDGWJIWSSP-UHFFFAOYSA-N
MW255.18 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane

2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane (PubChem CID 175060920) has the molecular formula C11H11BrS and a molecular weight of 255.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane
PubChem CID175060920
Molecular FormulaC11H11BrS
Molecular Weight255.18 g/mol
Exact Mass253.98
IUPAC Name2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane
SMILESCSC12CC1C2c1ccc(Br)cc1
InChIInChI=1S/C11H11BrS/c1-13-11-6-9(11)10(11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeySQPREDGWJIWSSP-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
2-(4-bromophenyl)adamantan-1-amine
CID 10018007
2-(4-bromophenyl)-1-ethylcyclopropan-1-amine
CID 84701862
3-(4-bromophenyl)cyclobutan-1-one;ethane
CID 142378468
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
(2S)-2-(4-bromophenyl)cyclopropane-1,1-dicarbonitrile
CID 101078615
3-(4-bromophenyl)-2,2-dimethylcyclobutan-1-amine
CID 81414942
2,6-bis(4-bromophenyl)dispiro[2.1.25.23]nonan-4-one
CID 66551755
(5S)-5-(4-bromophenyl)-3,3-dimethyloxolan-2-one
CID 155935062
3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol
CID 81422777
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane?
The IUPAC name of 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane (CID 175060920) is 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane?
The canonical SMILES for 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane is CSC12CC1C2c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane?
The InChIKey is SQPREDGWJIWSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS/c1-13-11-6-9(11)10(11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane?
2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane has a molecular weight of 255.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylsulfanylbicyclo[1.1.0]butane is sourced from PubChem (CID 175060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).