1-isothiocyanatopentane;λ2-stannane

C6H13NSSn — CID 173286662

IUPAC1-isothiocyanatopentane;λ2-stannane
SMILESCCCCCN=C=S.[SnH2]
InChIInChI=1S/C6H11NS.Sn.2H/c1-2-3-4-5-7-6-8;;;/h2-5H2,1H3;;;
InChIKeyQSTDZGRPIXCRIZ-UHFFFAOYSA-N
MW249.95 g/mol
LogP1.36
Rot. Bonds4

About 1-isothiocyanatopentane;λ2-stannane

1-isothiocyanatopentane;λ2-stannane (PubChem CID 173286662) has the molecular formula C6H13NSSn and a molecular weight of 249.95 g/mol. Its IUPAC name is 1-isothiocyanatopentane;λ2-stannane.

Molecular Properties

Compound Name1-isothiocyanatopentane;λ2-stannane
PubChem CID173286662
Molecular FormulaC6H13NSSn
Molecular Weight249.95 g/mol
Exact Mass250.98
IUPAC Name1-isothiocyanatopentane;λ2-stannane
SMILESCCCCCN=C=S.[SnH2]
InChIInChI=1S/C6H11NS.Sn.2H/c1-2-3-4-5-7-6-8;;;/h2-5H2,1H3;;;
InChIKeyQSTDZGRPIXCRIZ-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.95
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-isothiocyanatotetracosane
CID 175827875
sodium;hydride;1-isothiocyanatododecane
CID 173360383
3-isothiocyanato-N,N-dipropylpropan-1-amine
CID 154188985
N,N'-dioctadecylmethanediimine
CID 10918627
N'-pentyl-N-propylmethanediimine
CID 88904849
1-isoselenocyanatoheptane
CID 172734462
1-isocyanatodotriacontane
CID 87857577
4-isothiocyanatobutan-1-ol
CID 11018901
3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
6-isothiocyanatohexane-2-thione
CID 118473814
1-isocyanatopentane;isocyanic acid
CID 88728305
2-(dodecylamino)-6-isothiocyanatohexanoic acid
CID 169308286

Frequently Asked Questions

What is the IUPAC name of 1-isothiocyanatopentane;λ2-stannane?
The IUPAC name of 1-isothiocyanatopentane;λ2-stannane (CID 173286662) is 1-isothiocyanatopentane;λ2-stannane.
What is the SMILES notation for 1-isothiocyanatopentane;λ2-stannane?
The canonical SMILES for 1-isothiocyanatopentane;λ2-stannane is CCCCCN=C=S.[SnH2].
What is the InChIKey of 1-isothiocyanatopentane;λ2-stannane?
The InChIKey is QSTDZGRPIXCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.Sn.2H/c1-2-3-4-5-7-6-8;;;/h2-5H2,1H3;;;.
What are the key properties of 1-isothiocyanatopentane;λ2-stannane?
1-isothiocyanatopentane;λ2-stannane has a molecular weight of 249.95 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isothiocyanatopentane;λ2-stannane is sourced from PubChem (CID 173286662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).