2-prop-2-enyloxirane-2-thiol

C5H8OS — CID 173350724

IUPAC2-prop-2-enyloxirane-2-thiol
SMILESC=CCC1(S)CO1
InChIInChI=1S/C5H8OS/c1-2-3-5(7)4-6-5/h2,7H,1,3-4H2
InChIKeySUDOBHIJDMABDS-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.22
Rot. Bonds2

About 2-prop-2-enyloxirane-2-thiol

2-prop-2-enyloxirane-2-thiol (PubChem CID 173350724) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2-prop-2-enyloxirane-2-thiol.

Molecular Properties

Compound Name2-prop-2-enyloxirane-2-thiol
PubChem CID173350724
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2-prop-2-enyloxirane-2-thiol
SMILESC=CCC1(S)CO1
InChIInChI=1S/C5H8OS/c1-2-3-5(7)4-6-5/h2,7H,1,3-4H2
InChIKeySUDOBHIJDMABDS-UHFFFAOYSA-N
XLogP1.22
TPSA12.53 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
CID 174682526
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67995672
[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
CID 11405224
2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
CID 23118642
3-ethyl-3-prop-2-enyloxetane
CID 68640910
[(2S)-2-ethenyloxiran-2-yl]methanol
CID 131089361
5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
CID 54525893
4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
CID 11053710
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol
CID 131720023
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloxirane-2-thiol?
The IUPAC name of 2-prop-2-enyloxirane-2-thiol (CID 173350724) is 2-prop-2-enyloxirane-2-thiol.
What is the SMILES notation for 2-prop-2-enyloxirane-2-thiol?
The canonical SMILES for 2-prop-2-enyloxirane-2-thiol is C=CCC1(S)CO1.
What is the InChIKey of 2-prop-2-enyloxirane-2-thiol?
The InChIKey is SUDOBHIJDMABDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-3-5(7)4-6-5/h2,7H,1,3-4H2.
What are the key properties of 2-prop-2-enyloxirane-2-thiol?
2-prop-2-enyloxirane-2-thiol has a molecular weight of 116.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloxirane-2-thiol is sourced from PubChem (CID 173350724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).