CID 58386247

C5H8O2S3 — CID 58386247

IUPAC—
SMILES[CH]CSSSCCC(=O)O
InChIInChI=1S/C5H8O2S3/c1-2-8-10-9-4-3-5(6)7/h1H,2-4H2,(H,6,7)
InChIKeyLGELDCFHZHSGNI-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.20
Rot. Bonds6

About CID 58386247

CID 58386247 (PubChem CID 58386247) has the molecular formula C5H8O2S3 and a molecular weight of 196.32 g/mol.

Molecular Properties

Compound NameCID 58386247
PubChem CID58386247
Molecular FormulaC5H8O2S3
Molecular Weight196.32 g/mol
Exact Mass195.97
IUPAC Name—
SMILES[CH]CSSSCCC(=O)O
InChIInChI=1S/C5H8O2S3/c1-2-8-10-9-4-3-5(6)7/h1H,2-4H2,(H,6,7)
InChIKeyLGELDCFHZHSGNI-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

carbon dioxide;3-(ethyltrisulfanyl)propanoic acid
CID 161337065
3-(aminodisulfanyl)propanoic acid
CID 175169400
sodium;3-(2-carboxyethylsulfanyl)propanoic acid;hydride
CID 173005552
(E)-but-2-enedioic acid;3-(2-carboxyethylsulfanyl)propanoic acid;(Z)-2,3-dihydroxybut-2-enedioic acid
CID 158999056
5-(4-carboxybutyldisulfanyl)pentanoic acid
CID 21330220
3-(hydroxymethylsulfanyl)propanoic acid
CID 54452480
3-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]tetrasulfanyl]propanoic acid
CID 87076358
3-(2-carboxyethylsulfanyl)propanoic acid;2-sulfanylacetic acid
CID 174828911
5-(butyldisulfanyl)pentanoic acid
CID 10331157
3-(3-hydroperoxypropyldisulfanyl)propanoic acid
CID 167337902
3-butan-2-ylsulfanylpropanoic acid
CID 560596
trisodium;butanedioic acid
CID 175698490

Frequently Asked Questions

What is the IUPAC name of CID 58386247?
The IUPAC name of CID 58386247 (CID 58386247) is not available.
What is the SMILES notation for CID 58386247?
The canonical SMILES for CID 58386247 is [CH]CSSSCCC(=O)O.
What is the InChIKey of CID 58386247?
The InChIKey is LGELDCFHZHSGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S3/c1-2-8-10-9-4-3-5(6)7/h1H,2-4H2,(H,6,7).
What are the key properties of CID 58386247?
CID 58386247 has a molecular weight of 196.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58386247 is sourced from PubChem (CID 58386247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).