butyl(triisothiocyanato)stannane

C7H9N3S3Sn — CID 16683826

IUPACbutyl(triisothiocyanato)stannane
SMILESCCCC[Sn](N=C=S)(N=C=S)N=C=S
InChIInChI=1S/C4H9.3CNS.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;;;;/q;3*-1;+3
InChIKeyCHEDVBVABPRTBI-UHFFFAOYSA-N
MW350.08 g/mol
LogP3.03
Rot. Bonds6

About butyl(triisothiocyanato)stannane

butyl(triisothiocyanato)stannane (PubChem CID 16683826) has the molecular formula C7H9N3S3Sn and a molecular weight of 350.08 g/mol. Its IUPAC name is butyl(triisothiocyanato)stannane.

Molecular Properties

Compound Namebutyl(triisothiocyanato)stannane
PubChem CID16683826
Molecular FormulaC7H9N3S3Sn
Molecular Weight350.08 g/mol
Exact Mass350.90
IUPAC Namebutyl(triisothiocyanato)stannane
SMILESCCCC[Sn](N=C=S)(N=C=S)N=C=S
InChIInChI=1S/C4H9.3CNS.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;;;;/q;3*-1;+3
InChIKeyCHEDVBVABPRTBI-UHFFFAOYSA-N
XLogP3.03
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[didodecyl(ethoxy)stannyl]oxy-didodecyl-isothiocyanatostannane
CID 154075631
tetrabutylstannane
CID 160899301
1-isothiocyanatopentane;λ2-stannane
CID 173286662
1-isothiocyanatotetracosane
CID 175827875
tetrabutylstannane;hydrate
CID 87560971
sodium;hydride;1-isothiocyanatododecane
CID 173360383
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
methyl(trioctadecyl)stannane
CID 154048335
tribromo(butyl)stannane;dihydrate
CID 87907152
tributyl(hexadecyl)stannane
CID 174658060
iodo(triisothiocyanato)stannane
CID 71328731

Frequently Asked Questions

What is the IUPAC name of butyl(triisothiocyanato)stannane?
The IUPAC name of butyl(triisothiocyanato)stannane (CID 16683826) is butyl(triisothiocyanato)stannane.
What is the SMILES notation for butyl(triisothiocyanato)stannane?
The canonical SMILES for butyl(triisothiocyanato)stannane is CCCC[Sn](N=C=S)(N=C=S)N=C=S.
What is the InChIKey of butyl(triisothiocyanato)stannane?
The InChIKey is CHEDVBVABPRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3CNS.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;;;;/q;3*-1;+3.
What are the key properties of butyl(triisothiocyanato)stannane?
butyl(triisothiocyanato)stannane has a molecular weight of 350.08 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triisothiocyanato)stannane is sourced from PubChem (CID 16683826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).