cyclopropylmethylsulfanylbenzene

C10H12S — CID 579222

IUPACcyclopropylmethylsulfanylbenzene
SMILESc1ccc(SCC2CC2)cc1
InChIInChI=1S/C10H12S/c1-2-4-10(5-3-1)11-8-9-6-7-9/h1-5,9H,6-8H2
InChIKeyORTADKWRLALGSC-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.19
Rot. Bonds3

About cyclopropylmethylsulfanylbenzene

cyclopropylmethylsulfanylbenzene (PubChem CID 579222) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is cyclopropylmethylsulfanylbenzene.

Molecular Properties

Compound Namecyclopropylmethylsulfanylbenzene
PubChem CID579222
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Namecyclopropylmethylsulfanylbenzene
SMILESc1ccc(SCC2CC2)cc1
InChIInChI=1S/C10H12S/c1-2-4-10(5-3-1)11-8-9-6-7-9/h1-5,9H,6-8H2
InChIKeyORTADKWRLALGSC-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylsulfanylbenzene?
The IUPAC name of cyclopropylmethylsulfanylbenzene (CID 579222) is cyclopropylmethylsulfanylbenzene.
What is the SMILES notation for cyclopropylmethylsulfanylbenzene?
The canonical SMILES for cyclopropylmethylsulfanylbenzene is c1ccc(SCC2CC2)cc1.
What is the InChIKey of cyclopropylmethylsulfanylbenzene?
The InChIKey is ORTADKWRLALGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-4-10(5-3-1)11-8-9-6-7-9/h1-5,9H,6-8H2.
What are the key properties of cyclopropylmethylsulfanylbenzene?
cyclopropylmethylsulfanylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylsulfanylbenzene is sourced from PubChem (CID 579222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).