2-cyclopropylsulfanylbenzonitrile

C10H9NS — CID 57448160

IUPAC2-cyclopropylsulfanylbenzonitrile
SMILESN#Cc1ccccc1SC1CC1
InChIInChI=1S/C10H9NS/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9H,5-6H2
InChIKeyBZRNJICUEGURSO-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.81
Rot. Bonds2

About 2-cyclopropylsulfanylbenzonitrile

2-cyclopropylsulfanylbenzonitrile (PubChem CID 57448160) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-cyclopropylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-cyclopropylsulfanylbenzonitrile
PubChem CID57448160
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-cyclopropylsulfanylbenzonitrile
SMILESN#Cc1ccccc1SC1CC1
InChIInChI=1S/C10H9NS/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9H,5-6H2
InChIKeyBZRNJICUEGURSO-UHFFFAOYSA-N
XLogP2.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfanylbenzonitrile?
The IUPAC name of 2-cyclopropylsulfanylbenzonitrile (CID 57448160) is 2-cyclopropylsulfanylbenzonitrile.
What is the SMILES notation for 2-cyclopropylsulfanylbenzonitrile?
The canonical SMILES for 2-cyclopropylsulfanylbenzonitrile is N#Cc1ccccc1SC1CC1.
What is the InChIKey of 2-cyclopropylsulfanylbenzonitrile?
The InChIKey is BZRNJICUEGURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,9H,5-6H2.
What are the key properties of 2-cyclopropylsulfanylbenzonitrile?
2-cyclopropylsulfanylbenzonitrile has a molecular weight of 175.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfanylbenzonitrile is sourced from PubChem (CID 57448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).