sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate

C6H11NaO2S — CID 173069746

IUPACsodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate
SMILESCC(=O)OC1(CS)CC1.[H-].[Na+]
InChIInChI=1S/C6H10O2S.Na.H/c1-5(7)8-6(4-9)2-3-6;;/h9H,2-4H2,1H3;;/q;+1;-1
InChIKeyVINLKFFMUFNKGJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.87
Rot. Bonds2

About sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate

sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate (PubChem CID 173069746) has the molecular formula C6H11NaO2S and a molecular weight of 170.21 g/mol. Its IUPAC name is sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate.

Molecular Properties

Compound Namesodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate
PubChem CID173069746
Molecular FormulaC6H11NaO2S
Molecular Weight170.21 g/mol
Exact Mass170.04
IUPAC Namesodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate
SMILESCC(=O)OC1(CS)CC1.[H-].[Na+]
InChIInChI=1S/C6H10O2S.Na.H/c1-5(7)8-6(4-9)2-3-6;;/h9H,2-4H2,1H3;;/q;+1;-1
InChIKeyVINLKFFMUFNKGJ-UHFFFAOYSA-N
XLogP-1.87
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate?
The IUPAC name of sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate (CID 173069746) is sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate.
What is the SMILES notation for sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate?
The canonical SMILES for sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate is CC(=O)OC1(CS)CC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate?
The InChIKey is VINLKFFMUFNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S.Na.H/c1-5(7)8-6(4-9)2-3-6;;/h9H,2-4H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate?
sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate has a molecular weight of 170.21 g/mol, XLogP of -1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate is sourced from PubChem (CID 173069746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).