gold(1+);thiolan-2-yloxymethanone

C5H7AuO2S — CID 174810731

IUPACgold(1+);thiolan-2-yloxymethanone
SMILESO=[C-]OC1CCCS1.[Au+]
InChIInChI=1S/C5H7O2S.Au/c6-4-7-5-2-1-3-8-5;/h5H,1-3H2;/q-1;+1
InChIKeySPJZRABTUAJTRI-UHFFFAOYSA-N
MW328.14 g/mol
LogP0.92
Rot. Bonds2

About gold(1+);thiolan-2-yloxymethanone

gold(1+);thiolan-2-yloxymethanone (PubChem CID 174810731) has the molecular formula C5H7AuO2S and a molecular weight of 328.14 g/mol. Its IUPAC name is gold(1+);thiolan-2-yloxymethanone.

Molecular Properties

Compound Namegold(1+);thiolan-2-yloxymethanone
PubChem CID174810731
Molecular FormulaC5H7AuO2S
Molecular Weight328.14 g/mol
Exact Mass327.98
IUPAC Namegold(1+);thiolan-2-yloxymethanone
SMILESO=[C-]OC1CCCS1.[Au+]
InChIInChI=1S/C5H7O2S.Au/c6-4-7-5-2-1-3-8-5;/h5H,1-3H2;/q-1;+1
InChIKeySPJZRABTUAJTRI-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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thian-2-yl 2,2-dimethylbutanoate
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CID 57107713
(2R)-thiolane-2-thiol
CID 88653030
1-methyl-4-(thian-2-yloxy)pyrazole
CID 117233445
(1R,6R)-2-thiabicyclo[4.1.0]heptane-7-carboxylic acid
CID 84650797
methyl 3-(thiolan-2-yl)prop-2-ynoate
CID 117265620
4-(thian-2-yloxy)phenol
CID 12978203
4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide
CID 117233686
(2R)-2-(4-phenylbutoxy)thiolane
CID 155931432
(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
CID 124665905
2-[2-(thiolan-2-yl)cyclohexyl]thiolane
CID 173028007

Frequently Asked Questions

What is the IUPAC name of gold(1+);thiolan-2-yloxymethanone?
The IUPAC name of gold(1+);thiolan-2-yloxymethanone (CID 174810731) is gold(1+);thiolan-2-yloxymethanone.
What is the SMILES notation for gold(1+);thiolan-2-yloxymethanone?
The canonical SMILES for gold(1+);thiolan-2-yloxymethanone is O=[C-]OC1CCCS1.[Au+].
What is the InChIKey of gold(1+);thiolan-2-yloxymethanone?
The InChIKey is SPJZRABTUAJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2S.Au/c6-4-7-5-2-1-3-8-5;/h5H,1-3H2;/q-1;+1.
What are the key properties of gold(1+);thiolan-2-yloxymethanone?
gold(1+);thiolan-2-yloxymethanone has a molecular weight of 328.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);thiolan-2-yloxymethanone is sourced from PubChem (CID 174810731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).