CID 157074215

C12H27SSn2 — CID 157074215

IUPAC—
SMILESCCCCCCCC[Sn+].CCCC[Sn].[SH-]
InChIInChI=1S/C8H17.C4H9.H2S.2Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H2;;/q;;;;+1/p-1
InChIKeyACTYQGZDRMRQPI-UHFFFAOYSA-M
MW440.84 g/mol
LogP4.04
Rot. Bonds8

About CID 157074215

CID 157074215 (PubChem CID 157074215) has the molecular formula C12H27SSn2 and a molecular weight of 440.84 g/mol.

Molecular Properties

Compound NameCID 157074215
PubChem CID157074215
Molecular FormulaC12H27SSn2
Molecular Weight440.84 g/mol
Exact Mass442.99
IUPAC Name—
SMILESCCCCCCCC[Sn+].CCCC[Sn].[SH-]
InChIInChI=1S/C8H17.C4H9.H2S.2Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H2;;/q;;;;+1/p-1
InChIKeyACTYQGZDRMRQPI-UHFFFAOYSA-M
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 6335403
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henoctacontane
CID 22086342
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of CID 157074215?
The IUPAC name of CID 157074215 (CID 157074215) is not available.
What is the SMILES notation for CID 157074215?
The canonical SMILES for CID 157074215 is CCCCCCCC[Sn+].CCCC[Sn].[SH-].
What is the InChIKey of CID 157074215?
The InChIKey is ACTYQGZDRMRQPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.C4H9.H2S.2Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;;/h1,3-8H2,2H3;1,3-4H2,2H3;1H2;;/q;;;;+1/p-1.
What are the key properties of CID 157074215?
CID 157074215 has a molecular weight of 440.84 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157074215 is sourced from PubChem (CID 157074215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).