1-(thiiran-2-yl)prop-2-en-1-ol

C5H8OS — CID 10011878

IUPAC1-(thiiran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CS1
InChIInChI=1S/C5H8OS/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2
InChIKeyJNLJUICNJNWSBC-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.65
Rot. Bonds2

About 1-(thiiran-2-yl)prop-2-en-1-ol

1-(thiiran-2-yl)prop-2-en-1-ol (PubChem CID 10011878) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 1-(thiiran-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(thiiran-2-yl)prop-2-en-1-ol
PubChem CID10011878
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name1-(thiiran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CS1
InChIInChI=1S/C5H8OS/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2
InChIKeyJNLJUICNJNWSBC-UHFFFAOYSA-N
XLogP0.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(thiiran-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydrothiophene-3-ol
CID 67424077
6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
(Z)-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11309862
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
1-Methylsulfanylpent-4-en-2-ol
CID 62693386
1-(1,3-Dithiolan-4-yl)prop-2-en-1-ol
CID 88814800
1-(Thiiran-2-yl)but-3-en-1-ol
CID 117786260
3-Ethenylsulfanylbut-3-en-2-ol
CID 123545678
(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11355842
2-Methylsulfanylpent-1-en-3-ol
CID 12946109
4,5-Dihydrothiepin-4-ol
CID 13407583

Frequently Asked Questions

What is the IUPAC name of 1-(thiiran-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(thiiran-2-yl)prop-2-en-1-ol (CID 10011878) is 1-(thiiran-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(thiiran-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(thiiran-2-yl)prop-2-en-1-ol is C=CC(O)C1CS1.
What is the InChIKey of 1-(thiiran-2-yl)prop-2-en-1-ol?
The InChIKey is JNLJUICNJNWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2.
What are the key properties of 1-(thiiran-2-yl)prop-2-en-1-ol?
1-(thiiran-2-yl)prop-2-en-1-ol has a molecular weight of 116.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiiran-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 10011878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).