(2S)-2-(prop-2-enylsulfanylmethyl)oxirane

C6H10OS — CID 130507887

IUPAC(2S)-2-(prop-2-enylsulfanylmethyl)oxirane
SMILESC=CCSC[C@@H]1CO1
InChIInChI=1S/C6H10OS/c1-2-3-8-5-6-4-7-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyKMSNRJYKWDIQKV-LURJTMIESA-N
MW130.21 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-(prop-2-enylsulfanylmethyl)oxirane

(2S)-2-(prop-2-enylsulfanylmethyl)oxirane (PubChem CID 130507887) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2S)-2-(prop-2-enylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(prop-2-enylsulfanylmethyl)oxirane
PubChem CID130507887
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2S)-2-(prop-2-enylsulfanylmethyl)oxirane
SMILESC=CCSC[C@@H]1CO1
InChIInChI=1S/C6H10OS/c1-2-3-8-5-6-4-7-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyKMSNRJYKWDIQKV-LURJTMIESA-N
XLogP1.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, [(2-propenylthio)methyl]-
CID 12244211
2-[(Prop-2-enyldisulfanyl)methyl]oxirane
CID 22621474
2-Fluoro-3-(prop-2-enylsulfanylmethyl)oxirane
CID 88625506
2-(1-Fluoroprop-2-enylsulfanyl)-3-methyloxirane
CID 88625508
2-[(Ethenylsulfanyl)methyl]oxirane
CID 14572693
2-(Propa-1,2-dienylsulfanylmethyl)oxirane
CID 141707128
Oxiran-2-ylmethyl prop-2-enedithioate
CID 155571323
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
2-Methoxy-1-prop-2-enylsulfanylbutane
CID 88396318
(2R)-2-methoxy-1-prop-2-enylsulfanylbutane
CID 88396320
(2R)-2-(prop-2-enylsulfanylmethyl)oxirane
CID 130507888
2-(3-Prop-2-enylsulfanylpropyl)oxirane
CID 130595382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(prop-2-enylsulfanylmethyl)oxirane?
The IUPAC name of (2S)-2-(prop-2-enylsulfanylmethyl)oxirane (CID 130507887) is (2S)-2-(prop-2-enylsulfanylmethyl)oxirane.
What is the SMILES notation for (2S)-2-(prop-2-enylsulfanylmethyl)oxirane?
The canonical SMILES for (2S)-2-(prop-2-enylsulfanylmethyl)oxirane is C=CCSC[C@@H]1CO1.
What is the InChIKey of (2S)-2-(prop-2-enylsulfanylmethyl)oxirane?
The InChIKey is KMSNRJYKWDIQKV-LURJTMIESA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-8-5-6-4-7-6/h2,6H,1,3-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(prop-2-enylsulfanylmethyl)oxirane?
(2S)-2-(prop-2-enylsulfanylmethyl)oxirane has a molecular weight of 130.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(prop-2-enylsulfanylmethyl)oxirane is sourced from PubChem (CID 130507887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).