1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)

C7H11AuO2S2 — CID 59102050

IUPAC1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)
SMILES[Au+].[S-]C1CC2(CCS1)OCCO2
InChIInChI=1S/C7H12O2S2.Au/c10-6-5-7(1-4-11-6)8-2-3-9-7;/h6,10H,1-5H2;/q;+1/p-1
InChIKeyMVZAQVLHAWFCJT-UHFFFAOYSA-M
MW388.26 g/mol
LogP1.13
Rot. Bonds

About 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)

1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+) (PubChem CID 59102050) has the molecular formula C7H11AuO2S2 and a molecular weight of 388.26 g/mol. Its IUPAC name is 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+).

Molecular Properties

Compound Name1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)
PubChem CID59102050
Molecular FormulaC7H11AuO2S2
Molecular Weight388.26 g/mol
Exact Mass387.99
IUPAC Name1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)
SMILES[Au+].[S-]C1CC2(CCS1)OCCO2
InChIInChI=1S/C7H12O2S2.Au/c10-6-5-7(1-4-11-6)8-2-3-9-7;/h6,10H,1-5H2;/q;+1/p-1
InChIKeyMVZAQVLHAWFCJT-UHFFFAOYSA-M
XLogP1.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,4-Dioxa-8lambda4-thiaspiro(4.5)decan-8-one
CID 13273782
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
1,4-Dioxa-7,9-dithiaspiro[4.5]decane
CID 21678320
2-(1,3-Dithian-2-ylmethyl)-1,3-dioxolane
CID 13952910
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
4-(1,3-Dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 24812664
1,4-Dioxa-8-thiaspiro[4.5]decane-7-thiol
CID 12336001
Ethanethioic Acid S-(1,4-Dioxa-8-thiaspiro[4.5]decan-7-yl) Ester
CID 53909053
2-(1,4-Dithian-2-yl)-1,3-dioxolane
CID 91175222
8-Methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
CID 140854973
(4R)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 21581183

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)?
The IUPAC name of 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+) (CID 59102050) is 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+).
What is the SMILES notation for 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)?
The canonical SMILES for 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+) is [Au+].[S-]C1CC2(CCS1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)?
The InChIKey is MVZAQVLHAWFCJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O2S2.Au/c10-6-5-7(1-4-11-6)8-2-3-9-7;/h6,10H,1-5H2;/q;+1/p-1.
What are the key properties of 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)?
1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+) has a molecular weight of 388.26 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+) is sourced from PubChem (CID 59102050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).