4-(1-cyclopropylethoxy)benzenethiol

C11H14OS — CID 142872065

IUPAC4-(1-cyclopropylethoxy)benzenethiol
SMILESCC(Oc1ccc(S)cc1)C1CC1
InChIInChI=1S/C11H14OS/c1-8(9-2-3-9)12-10-4-6-11(13)7-5-10/h4-9,13H,2-3H2,1H3
InChIKeyXBMNFFJWJGGUJP-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.15
Rot. Bonds3

About 4-(1-cyclopropylethoxy)benzenethiol

4-(1-cyclopropylethoxy)benzenethiol (PubChem CID 142872065) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(1-cyclopropylethoxy)benzenethiol.

Molecular Properties

Compound Name4-(1-cyclopropylethoxy)benzenethiol
PubChem CID142872065
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4-(1-cyclopropylethoxy)benzenethiol
SMILESCC(Oc1ccc(S)cc1)C1CC1
InChIInChI=1S/C11H14OS/c1-8(9-2-3-9)12-10-4-6-11(13)7-5-10/h4-9,13H,2-3H2,1H3
InChIKeyXBMNFFJWJGGUJP-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethoxy)benzenethiol?
The IUPAC name of 4-(1-cyclopropylethoxy)benzenethiol (CID 142872065) is 4-(1-cyclopropylethoxy)benzenethiol.
What is the SMILES notation for 4-(1-cyclopropylethoxy)benzenethiol?
The canonical SMILES for 4-(1-cyclopropylethoxy)benzenethiol is CC(Oc1ccc(S)cc1)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethoxy)benzenethiol?
The InChIKey is XBMNFFJWJGGUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8(9-2-3-9)12-10-4-6-11(13)7-5-10/h4-9,13H,2-3H2,1H3.
What are the key properties of 4-(1-cyclopropylethoxy)benzenethiol?
4-(1-cyclopropylethoxy)benzenethiol has a molecular weight of 194.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethoxy)benzenethiol is sourced from PubChem (CID 142872065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).