(2-ethylsulfanylcyclopropyl)benzene

C11H14S — CID 123588085

IUPAC(2-ethylsulfanylcyclopropyl)benzene
SMILESCCSC1CC1c1ccccc1
InChIInChI=1S/C11H14S/c1-2-12-11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyLPOSCLCJLBJNGM-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.30
Rot. Bonds3

About (2-ethylsulfanylcyclopropyl)benzene

(2-ethylsulfanylcyclopropyl)benzene (PubChem CID 123588085) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (2-ethylsulfanylcyclopropyl)benzene.

Molecular Properties

Compound Name(2-ethylsulfanylcyclopropyl)benzene
PubChem CID123588085
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(2-ethylsulfanylcyclopropyl)benzene
SMILESCCSC1CC1c1ccccc1
InChIInChI=1S/C11H14S/c1-2-12-11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyLPOSCLCJLBJNGM-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylcyclopropyl)sulfanylpropanoic acid
CID 116516547
2-methyl-2-(2-phenylcyclopropyl)sulfanylpropanoic acid
CID 116516565
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
4-methyl-3-(2-phenylcyclopropyl)sulfanylaniline
CID 116516620
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
ethyl 5-(2-phenylcyclopropyl)sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116700297
1-ethyl-3-methyl-4-phenylpyrrolidine
CID 130451678
trimethyl-(2-phenylcyclopropyl)azanium
CID 3797998
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylcyclopropyl)benzene?
The IUPAC name of (2-ethylsulfanylcyclopropyl)benzene (CID 123588085) is (2-ethylsulfanylcyclopropyl)benzene.
What is the SMILES notation for (2-ethylsulfanylcyclopropyl)benzene?
The canonical SMILES for (2-ethylsulfanylcyclopropyl)benzene is CCSC1CC1c1ccccc1.
What is the InChIKey of (2-ethylsulfanylcyclopropyl)benzene?
The InChIKey is LPOSCLCJLBJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-2-12-11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of (2-ethylsulfanylcyclopropyl)benzene?
(2-ethylsulfanylcyclopropyl)benzene has a molecular weight of 178.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylcyclopropyl)benzene is sourced from PubChem (CID 123588085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).