5-methoxy-5-sulfanylidenepentanoic acid

C6H10O3S — CID 141141448

IUPAC5-methoxy-5-sulfanylidenepentanoic acid
SMILESCOC(=S)CCCC(=O)O
InChIInChI=1S/C6H10O3S/c1-9-6(10)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKeyFSDOZCCTUXNSLL-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.22
Rot. Bonds4

About 5-methoxy-5-sulfanylidenepentanoic acid

5-methoxy-5-sulfanylidenepentanoic acid (PubChem CID 141141448) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-methoxy-5-sulfanylidenepentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-sulfanylidenepentanoic acid
PubChem CID141141448
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-methoxy-5-sulfanylidenepentanoic acid
SMILESCOC(=S)CCCC(=O)O
InChIInChI=1S/C6H10O3S/c1-9-6(10)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKeyFSDOZCCTUXNSLL-UHFFFAOYSA-N
XLogP1.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-methoxy-5-sulfanylidenepentanoate
CID 54249997
CID 87067075
CID 87067075
chloromethane;pentanedioic acid
CID 159659659
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
erbium;pentanedioic acid
CID 87931794
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
6-methoxy-5-oxohexanoic acid
CID 46897878
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
acetamide;pentanedioic acid
CID 160895913
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-sulfanylidenepentanoic acid?
The IUPAC name of 5-methoxy-5-sulfanylidenepentanoic acid (CID 141141448) is 5-methoxy-5-sulfanylidenepentanoic acid.
What is the SMILES notation for 5-methoxy-5-sulfanylidenepentanoic acid?
The canonical SMILES for 5-methoxy-5-sulfanylidenepentanoic acid is COC(=S)CCCC(=O)O.
What is the InChIKey of 5-methoxy-5-sulfanylidenepentanoic acid?
The InChIKey is FSDOZCCTUXNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-9-6(10)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8).
What are the key properties of 5-methoxy-5-sulfanylidenepentanoic acid?
5-methoxy-5-sulfanylidenepentanoic acid has a molecular weight of 162.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-sulfanylidenepentanoic acid is sourced from PubChem (CID 141141448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).