ethene;S-(methylsilylmethyl) propanethioate;oxocobalt

C7H14CoO2SSi-2 — CID 173382313

IUPACethene;S-(methylsilylmethyl) propanethioate;oxocobalt
SMILESO=[Co].[CH2-]CC(=O)SC[SiH2]C.[H][C-]=C
InChIInChI=1S/C5H11OSSi.C2H3.Co.O/c1-3-5(6)7-4-8-2;1-2;;/h1,3-4,8H2,2H3;1H,2H2;;/q2*-1;;
InChIKeyYUMFZFGSQZFXPV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.13
Rot. Bonds3

About ethene;S-(methylsilylmethyl) propanethioate;oxocobalt

ethene;S-(methylsilylmethyl) propanethioate;oxocobalt (PubChem CID 173382313) has the molecular formula C7H14CoO2SSi-2 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethene;S-(methylsilylmethyl) propanethioate;oxocobalt.

Molecular Properties

Compound Nameethene;S-(methylsilylmethyl) propanethioate;oxocobalt
PubChem CID173382313
Molecular FormulaC7H14CoO2SSi-2
Molecular Weight249.27 g/mol
Exact Mass248.98
IUPAC Nameethene;S-(methylsilylmethyl) propanethioate;oxocobalt
SMILESO=[Co].[CH2-]CC(=O)SC[SiH2]C.[H][C-]=C
InChIInChI=1S/C5H11OSSi.C2H3.Co.O/c1-3-5(6)7-4-8-2;1-2;;/h1,3-4,8H2,2H3;1H,2H2;;/q2*-1;;
InChIKeyYUMFZFGSQZFXPV-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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S-ethyl carbamothioate
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CID 12591357
S-ethyl 2-methoxyethanethioate
CID 15145870

Frequently Asked Questions

What is the IUPAC name of ethene;S-(methylsilylmethyl) propanethioate;oxocobalt?
The IUPAC name of ethene;S-(methylsilylmethyl) propanethioate;oxocobalt (CID 173382313) is ethene;S-(methylsilylmethyl) propanethioate;oxocobalt.
What is the SMILES notation for ethene;S-(methylsilylmethyl) propanethioate;oxocobalt?
The canonical SMILES for ethene;S-(methylsilylmethyl) propanethioate;oxocobalt is O=[Co].[CH2-]CC(=O)SC[SiH2]C.[H][C-]=C.
What is the InChIKey of ethene;S-(methylsilylmethyl) propanethioate;oxocobalt?
The InChIKey is YUMFZFGSQZFXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OSSi.C2H3.Co.O/c1-3-5(6)7-4-8-2;1-2;;/h1,3-4,8H2,2H3;1H,2H2;;/q2*-1;;.
What are the key properties of ethene;S-(methylsilylmethyl) propanethioate;oxocobalt?
ethene;S-(methylsilylmethyl) propanethioate;oxocobalt has a molecular weight of 249.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;S-(methylsilylmethyl) propanethioate;oxocobalt is sourced from PubChem (CID 173382313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).