1-prop-2-enoxyprop-2-ene-1-thiol

C6H10OS — CID 87501847

IUPAC1-prop-2-enoxyprop-2-ene-1-thiol
SMILESC=CCOC(S)C=C
InChIInChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyJDAPRXRIEPMTHV-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.63
Rot. Bonds4

About 1-prop-2-enoxyprop-2-ene-1-thiol

1-prop-2-enoxyprop-2-ene-1-thiol (PubChem CID 87501847) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-prop-2-enoxyprop-2-ene-1-thiol.

Molecular Properties

Compound Name1-prop-2-enoxyprop-2-ene-1-thiol
PubChem CID87501847
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name1-prop-2-enoxyprop-2-ene-1-thiol
SMILESC=CCOC(S)C=C
InChIInChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyJDAPRXRIEPMTHV-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyprop-2-ene-1-thiol?
The IUPAC name of 1-prop-2-enoxyprop-2-ene-1-thiol (CID 87501847) is 1-prop-2-enoxyprop-2-ene-1-thiol.
What is the SMILES notation for 1-prop-2-enoxyprop-2-ene-1-thiol?
The canonical SMILES for 1-prop-2-enoxyprop-2-ene-1-thiol is C=CCOC(S)C=C.
What is the InChIKey of 1-prop-2-enoxyprop-2-ene-1-thiol?
The InChIKey is JDAPRXRIEPMTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-5-7-6(8)4-2/h3-4,6,8H,1-2,5H2.
What are the key properties of 1-prop-2-enoxyprop-2-ene-1-thiol?
1-prop-2-enoxyprop-2-ene-1-thiol has a molecular weight of 130.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyprop-2-ene-1-thiol is sourced from PubChem (CID 87501847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).