4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene

C11H13BrOS — CID 174282146

IUPAC4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene
SMILESCS(=O)Cc1cc(Br)ccc1C1CC1
InChIInChI=1S/C11H13BrOS/c1-14(13)7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyWHBLSCDVLBJZIB-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.20
Rot. Bonds3

About 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene

4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene (PubChem CID 174282146) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene
PubChem CID174282146
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene
SMILESCS(=O)Cc1cc(Br)ccc1C1CC1
InChIInChI=1S/C11H13BrOS/c1-14(13)7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyWHBLSCDVLBJZIB-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene?
The IUPAC name of 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene (CID 174282146) is 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene.
What is the SMILES notation for 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene?
The canonical SMILES for 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene is CS(=O)Cc1cc(Br)ccc1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene?
The InChIKey is WHBLSCDVLBJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-14(13)7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene?
4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene has a molecular weight of 273.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-2-(methylsulfinylmethyl)benzene is sourced from PubChem (CID 174282146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).