1-bromo-4-cyclopropylsulfanylbenzene

C9H9BrS — CID 22350105

IUPAC1-bromo-4-cyclopropylsulfanylbenzene
SMILESBrc1ccc(SC2CC2)cc1
InChIInChI=1S/C9H9BrS/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2
InChIKeyBIVPXDHUZDKZKC-UHFFFAOYSA-N
MW229.14 g/mol
LogP3.70
Rot. Bonds2

About 1-bromo-4-cyclopropylsulfanylbenzene

1-bromo-4-cyclopropylsulfanylbenzene (PubChem CID 22350105) has the molecular formula C9H9BrS and a molecular weight of 229.14 g/mol. Its IUPAC name is 1-bromo-4-cyclopropylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopropylsulfanylbenzene
PubChem CID22350105
Molecular FormulaC9H9BrS
Molecular Weight229.14 g/mol
Exact Mass227.96
IUPAC Name1-bromo-4-cyclopropylsulfanylbenzene
SMILESBrc1ccc(SC2CC2)cc1
InChIInChI=1S/C9H9BrS/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2
InChIKeyBIVPXDHUZDKZKC-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopropylsulfanylbenzene?
The IUPAC name of 1-bromo-4-cyclopropylsulfanylbenzene (CID 22350105) is 1-bromo-4-cyclopropylsulfanylbenzene.
What is the SMILES notation for 1-bromo-4-cyclopropylsulfanylbenzene?
The canonical SMILES for 1-bromo-4-cyclopropylsulfanylbenzene is Brc1ccc(SC2CC2)cc1.
What is the InChIKey of 1-bromo-4-cyclopropylsulfanylbenzene?
The InChIKey is BIVPXDHUZDKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrS/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-4-cyclopropylsulfanylbenzene?
1-bromo-4-cyclopropylsulfanylbenzene has a molecular weight of 229.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopropylsulfanylbenzene is sourced from PubChem (CID 22350105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).