2-cyclopropyloxyethanethiol

C5H10OS — CID 146048998

IUPAC2-cyclopropyloxyethanethiol
SMILESSCCOC1CC1
InChIInChI=1S/C5H10OS/c7-4-3-6-5-1-2-5/h5,7H,1-4H2
InChIKeyJBLVAPYSNDKLFD-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.10
Rot. Bonds3

About 2-cyclopropyloxyethanethiol

2-cyclopropyloxyethanethiol (PubChem CID 146048998) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-cyclopropyloxyethanethiol.

Molecular Properties

Compound Name2-cyclopropyloxyethanethiol
PubChem CID146048998
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-cyclopropyloxyethanethiol
SMILESSCCOC1CC1
InChIInChI=1S/C5H10OS/c7-4-3-6-5-1-2-5/h5,7H,1-4H2
InChIKeyJBLVAPYSNDKLFD-UHFFFAOYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyloxypropan-1-ol
CID 66696145
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
heptoxycyclopropane
CID 54099544
3-[4-(2-cyanoethoxy)cyclohexyl]oxypropanenitrile
CID 154323667
fluoromethoxycyclopropane
CID 70608961
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-(4-fluorocyclohexyl)oxyethanamine
CID 84731500
1-ethoxy-4-hexoxycyclohexane
CID 147022477
but-3-enoxycyclobutane
CID 130057115
2-cyclopentyloxy-N,N-dimethylethanamine
CID 142656921

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxyethanethiol?
The IUPAC name of 2-cyclopropyloxyethanethiol (CID 146048998) is 2-cyclopropyloxyethanethiol.
What is the SMILES notation for 2-cyclopropyloxyethanethiol?
The canonical SMILES for 2-cyclopropyloxyethanethiol is SCCOC1CC1.
What is the InChIKey of 2-cyclopropyloxyethanethiol?
The InChIKey is JBLVAPYSNDKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c7-4-3-6-5-1-2-5/h5,7H,1-4H2.
What are the key properties of 2-cyclopropyloxyethanethiol?
2-cyclopropyloxyethanethiol has a molecular weight of 118.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxyethanethiol is sourced from PubChem (CID 146048998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).