tris(2-hydroxyethenethiolate);methyltin(3+)

C7H12O3S3Sn — CID 173231168

IUPACtris(2-hydroxyethenethiolate);methyltin(3+)
SMILESC[Sn+3].OC=C[S-].OC=C[S-].OC=C[S-]
InChIInChI=1S/3C2H4OS.CH3.Sn/c3*3-1-2-4;;/h3*1-4H;1H3;/q;;;;+3/p-3
InChIKeyCAACNBIHLIXNLK-UHFFFAOYSA-K
MW359.08 g/mol
LogP1.89
Rot. Bonds

About tris(2-hydroxyethenethiolate);methyltin(3+)

tris(2-hydroxyethenethiolate);methyltin(3+) (PubChem CID 173231168) has the molecular formula C7H12O3S3Sn and a molecular weight of 359.08 g/mol. Its IUPAC name is tris(2-hydroxyethenethiolate);methyltin(3+).

Molecular Properties

Compound Nametris(2-hydroxyethenethiolate);methyltin(3+)
PubChem CID173231168
Molecular FormulaC7H12O3S3Sn
Molecular Weight359.08 g/mol
Exact Mass359.90
IUPAC Nametris(2-hydroxyethenethiolate);methyltin(3+)
SMILESC[Sn+3].OC=C[S-].OC=C[S-].OC=C[S-]
InChIInChI=1S/3C2H4OS.CH3.Sn/c3*3-1-2-4;;/h3*1-4H;1H3;/q;;;;+3/p-3
InChIKeyCAACNBIHLIXNLK-UHFFFAOYSA-K
XLogP1.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxyethyl disulfide
CID 21585092
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
Dimethyltin(2+);bis(2-hydroxyethanethiolate)
CID 20097407
1-(1-Hydroxyethyltrisulfanyl)ethanol
CID 20201165
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
CID 59080451
2-(Ethenyldisulfanyl)ethanol
CID 59925961
2-[2-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 72510312
Ethanol;ethenethiol
CID 88153334
2-(2-Hydroxyethenyldisulfanyl)ethenol
CID 139910779
(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol
CID 139967546
2-[[(E)-2-hydroxyethenyl]disulfanyl]ethanol
CID 156452247
(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol
CID 175162225

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethenethiolate);methyltin(3+)?
The IUPAC name of tris(2-hydroxyethenethiolate);methyltin(3+) (CID 173231168) is tris(2-hydroxyethenethiolate);methyltin(3+).
What is the SMILES notation for tris(2-hydroxyethenethiolate);methyltin(3+)?
The canonical SMILES for tris(2-hydroxyethenethiolate);methyltin(3+) is C[Sn+3].OC=C[S-].OC=C[S-].OC=C[S-].
What is the InChIKey of tris(2-hydroxyethenethiolate);methyltin(3+)?
The InChIKey is CAACNBIHLIXNLK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4OS.CH3.Sn/c3*3-1-2-4;;/h3*1-4H;1H3;/q;;;;+3/p-3.
What are the key properties of tris(2-hydroxyethenethiolate);methyltin(3+)?
tris(2-hydroxyethenethiolate);methyltin(3+) has a molecular weight of 359.08 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethenethiolate);methyltin(3+) is sourced from PubChem (CID 173231168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).