CID 173287588

C6H14NSSn — CID 173287588

IUPAC—
SMILESNCCCCCSC[Sn]
InChIInChI=1S/C6H14NS.Sn/c1-8-6-4-2-3-5-7;/h1-7H2;
InChIKeyIHBAZBYORQXDRH-UHFFFAOYSA-N
MW250.96 g/mol
LogP0.97
Rot. Bonds6

About CID 173287588

CID 173287588 (PubChem CID 173287588) has the molecular formula C6H14NSSn and a molecular weight of 250.96 g/mol.

Molecular Properties

Compound NameCID 173287588
PubChem CID173287588
Molecular FormulaC6H14NSSn
Molecular Weight250.96 g/mol
Exact Mass251.99
IUPAC Name—
SMILESNCCCCCSC[Sn]
InChIInChI=1S/C6H14NS.Sn/c1-8-6-4-2-3-5-7;/h1-7H2;
InChIKeyIHBAZBYORQXDRH-UHFFFAOYSA-N
XLogP0.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.96
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173288162
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11-decylsulfanylundecan-1-amine
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4-pentylsulfanylbutan-1-amine
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octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
pentane-1,5-diamine;dihydrobromide
CID 87582695
octane-1,8-diamine;hydroiodide
CID 166637894
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337

Frequently Asked Questions

What is the IUPAC name of CID 173287588?
The IUPAC name of CID 173287588 (CID 173287588) is not available.
What is the SMILES notation for CID 173287588?
The canonical SMILES for CID 173287588 is NCCCCCSC[Sn].
What is the InChIKey of CID 173287588?
The InChIKey is IHBAZBYORQXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NS.Sn/c1-8-6-4-2-3-5-7;/h1-7H2;.
What are the key properties of CID 173287588?
CID 173287588 has a molecular weight of 250.96 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173287588 is sourced from PubChem (CID 173287588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).