silyl 2-(sulfanylmethyl)prop-2-enoate

C4H8O2SSi — CID 123380737

IUPACsilyl 2-(sulfanylmethyl)prop-2-enoate
SMILESC=C(CS)C(=O)O[SiH3]
InChIInChI=1S/C4H8O2SSi/c1-3(2-7)4(5)6-8/h7H,1-2H2,8H3
InChIKeyHTWZCPLZEXCQIL-UHFFFAOYSA-N
MW148.26 g/mol
LogP-0.70
Rot. Bonds2

About silyl 2-(sulfanylmethyl)prop-2-enoate

silyl 2-(sulfanylmethyl)prop-2-enoate (PubChem CID 123380737) has the molecular formula C4H8O2SSi and a molecular weight of 148.26 g/mol. Its IUPAC name is silyl 2-(sulfanylmethyl)prop-2-enoate.

Molecular Properties

Compound Namesilyl 2-(sulfanylmethyl)prop-2-enoate
PubChem CID123380737
Molecular FormulaC4H8O2SSi
Molecular Weight148.26 g/mol
Exact Mass148.00
IUPAC Namesilyl 2-(sulfanylmethyl)prop-2-enoate
SMILESC=C(CS)C(=O)O[SiH3]
InChIInChI=1S/C4H8O2SSi/c1-3(2-7)4(5)6-8/h7H,1-2H2,8H3
InChIKeyHTWZCPLZEXCQIL-UHFFFAOYSA-N
XLogP-0.70
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silyl 2-(sulfanylmethyl)prop-2-enoate?
The IUPAC name of silyl 2-(sulfanylmethyl)prop-2-enoate (CID 123380737) is silyl 2-(sulfanylmethyl)prop-2-enoate.
What is the SMILES notation for silyl 2-(sulfanylmethyl)prop-2-enoate?
The canonical SMILES for silyl 2-(sulfanylmethyl)prop-2-enoate is C=C(CS)C(=O)O[SiH3].
What is the InChIKey of silyl 2-(sulfanylmethyl)prop-2-enoate?
The InChIKey is HTWZCPLZEXCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2SSi/c1-3(2-7)4(5)6-8/h7H,1-2H2,8H3.
What are the key properties of silyl 2-(sulfanylmethyl)prop-2-enoate?
silyl 2-(sulfanylmethyl)prop-2-enoate has a molecular weight of 148.26 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-(sulfanylmethyl)prop-2-enoate is sourced from PubChem (CID 123380737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).