butane;ethanethioate;tin(2+)

C12H26O2S2Sn — CID 171375475

IUPACbutane;ethanethioate;tin(2+)
SMILESCC(=O)[S-].CC(=O)[S-].CCCC.CCCC.[Sn+2]
InChIInChI=1S/2C4H10.2C2H4OS.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*3-4H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyMMWDYHGYZXBPMJ-UHFFFAOYSA-L
MW385.18 g/mol
LogP3.39
Rot. Bonds2

About butane;ethanethioate;tin(2+)

butane;ethanethioate;tin(2+) (PubChem CID 171375475) has the molecular formula C12H26O2S2Sn and a molecular weight of 385.18 g/mol. Its IUPAC name is butane;ethanethioate;tin(2+).

Molecular Properties

Compound Namebutane;ethanethioate;tin(2+)
PubChem CID171375475
Molecular FormulaC12H26O2S2Sn
Molecular Weight385.18 g/mol
Exact Mass386.04
IUPAC Namebutane;ethanethioate;tin(2+)
SMILESCC(=O)[S-].CC(=O)[S-].CCCC.CCCC.[Sn+2]
InChIInChI=1S/2C4H10.2C2H4OS.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*3-4H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyMMWDYHGYZXBPMJ-UHFFFAOYSA-L
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethanethioate;tin(2+)?
The IUPAC name of butane;ethanethioate;tin(2+) (CID 171375475) is butane;ethanethioate;tin(2+).
What is the SMILES notation for butane;ethanethioate;tin(2+)?
The canonical SMILES for butane;ethanethioate;tin(2+) is CC(=O)[S-].CC(=O)[S-].CCCC.CCCC.[Sn+2].
What is the InChIKey of butane;ethanethioate;tin(2+)?
The InChIKey is MMWDYHGYZXBPMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10.2C2H4OS.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*3-4H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of butane;ethanethioate;tin(2+)?
butane;ethanethioate;tin(2+) has a molecular weight of 385.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethanethioate;tin(2+) is sourced from PubChem (CID 171375475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).