2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione

C6H8OS — CID 155571324

IUPAC2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
SMILESC=C(C)C(=S)C1CO1
InChIInChI=1S/C6H8OS/c1-4(2)6(8)5-3-7-5/h5H,1,3H2,2H3
InChIKeyUJGQYCWMDNQHAE-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione

2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione (PubChem CID 155571324) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione.

Molecular Properties

Compound Name2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
PubChem CID155571324
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
SMILESC=C(C)C(=S)C1CO1
InChIInChI=1S/C6H8OS/c1-4(2)6(8)5-3-7-5/h5H,1,3H2,2H3
InChIKeyUJGQYCWMDNQHAE-UHFFFAOYSA-N
XLogP1.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1,3-dioxolan-4-yl)ethanethione
CID 172574508
1-(oxiran-2-yl)prop-1-enyl 2-methylprop-2-enoate
CID 141001258
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
ethane;methanamine;(2S)-2-[(3E)-penta-1,3-dien-3-yl]oxirane
CID 156650142
ethane;ethene;2-[(3Z)-penta-1,3-dien-2-yl]oxirane
CID 144532117
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?
The IUPAC name of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione (CID 155571324) is 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione.
What is the SMILES notation for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?
The canonical SMILES for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione is C=C(C)C(=S)C1CO1.
What is the InChIKey of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?
The InChIKey is UJGQYCWMDNQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-4(2)6(8)5-3-7-5/h5H,1,3H2,2H3.
What are the key properties of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?
2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione has a molecular weight of 128.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione is sourced from PubChem (CID 155571324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).