carbon dioxide;3-(ethyltrisulfanyl)propanoic acid

C6H10O4S3 — CID 161337065

IUPACcarbon dioxide;3-(ethyltrisulfanyl)propanoic acid
SMILESCCSSSCCC(=O)O.O=C=O
InChIInChI=1S/C5H10O2S3.CO2/c1-2-8-10-9-4-3-5(6)7;2-1-3/h2-4H2,1H3,(H,6,7);
InChIKeyVMEDGCXDDUNBLQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.93
Rot. Bonds6

About carbon dioxide;3-(ethyltrisulfanyl)propanoic acid

carbon dioxide;3-(ethyltrisulfanyl)propanoic acid (PubChem CID 161337065) has the molecular formula C6H10O4S3 and a molecular weight of 242.34 g/mol. Its IUPAC name is carbon dioxide;3-(ethyltrisulfanyl)propanoic acid.

Molecular Properties

Compound Namecarbon dioxide;3-(ethyltrisulfanyl)propanoic acid
PubChem CID161337065
Molecular FormulaC6H10O4S3
Molecular Weight242.34 g/mol
Exact Mass241.97
IUPAC Namecarbon dioxide;3-(ethyltrisulfanyl)propanoic acid
SMILESCCSSSCCC(=O)O.O=C=O
InChIInChI=1S/C5H10O2S3.CO2/c1-2-8-10-9-4-3-5(6)7;2-1-3/h2-4H2,1H3,(H,6,7);
InChIKeyVMEDGCXDDUNBLQ-UHFFFAOYSA-N
XLogP1.93
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 58386247
CID 58386247
3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 54060780
3-(aminodisulfanyl)propanoic acid
CID 175169400
carbon dioxide;tricosanoic acid
CID 162218172
3-(2-carboxyethylsulfanyl)propanoic acid;octadecane
CID 160878181
butane;butanedioic acid
CID 158477539
5-(butyldisulfanyl)pentanoic acid
CID 10331157
3-butan-2-ylsulfanylpropanoic acid
CID 560596
sodium;3-(2-carboxyethylsulfanyl)propanoic acid;hydride
CID 173005552
3-(2-carboxyethyldisulfanyl)-3-octylundecanoic acid
CID 175476441
3-(2-oxopropylsulfanyl)propanoic acid
CID 12024482
(hydroxydisulfanyl)ethane;2-sulfanylacetic acid
CID 174804994

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(ethyltrisulfanyl)propanoic acid?
The IUPAC name of carbon dioxide;3-(ethyltrisulfanyl)propanoic acid (CID 161337065) is carbon dioxide;3-(ethyltrisulfanyl)propanoic acid.
What is the SMILES notation for carbon dioxide;3-(ethyltrisulfanyl)propanoic acid?
The canonical SMILES for carbon dioxide;3-(ethyltrisulfanyl)propanoic acid is CCSSSCCC(=O)O.O=C=O.
What is the InChIKey of carbon dioxide;3-(ethyltrisulfanyl)propanoic acid?
The InChIKey is VMEDGCXDDUNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S3.CO2/c1-2-8-10-9-4-3-5(6)7;2-1-3/h2-4H2,1H3,(H,6,7);.
What are the key properties of carbon dioxide;3-(ethyltrisulfanyl)propanoic acid?
carbon dioxide;3-(ethyltrisulfanyl)propanoic acid has a molecular weight of 242.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(ethyltrisulfanyl)propanoic acid is sourced from PubChem (CID 161337065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).