tributylstannyl N,N-dibutylcarbamodithioate

C21H45NS2Sn — CID 3050818

IUPACtributylstannyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H19NS2.3C4H9.Sn/c1-3-5-7-10(9(11)12)8-6-4-2;3*1-3-4-2;/h3-8H2,1-2H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyNJHPQIDQPWDVKE-UHFFFAOYSA-M
MW494.44 g/mol
LogP8.25
Rot. Bonds16

About tributylstannyl N,N-dibutylcarbamodithioate

tributylstannyl N,N-dibutylcarbamodithioate (PubChem CID 3050818) has the molecular formula C21H45NS2Sn and a molecular weight of 494.44 g/mol. Its IUPAC name is tributylstannyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Nametributylstannyl N,N-dibutylcarbamodithioate
PubChem CID3050818
Molecular FormulaC21H45NS2Sn
Molecular Weight494.44 g/mol
Exact Mass495.20
IUPAC Nametributylstannyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H19NS2.3C4H9.Sn/c1-3-5-7-10(9(11)12)8-6-4-2;3*1-3-4-2;/h3-8H2,1-2H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyNJHPQIDQPWDVKE-UHFFFAOYSA-M
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl N,N-dibutylcarbamodithioate?
The IUPAC name of tributylstannyl N,N-dibutylcarbamodithioate (CID 3050818) is tributylstannyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for tributylstannyl N,N-dibutylcarbamodithioate?
The canonical SMILES for tributylstannyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylstannyl N,N-dibutylcarbamodithioate?
The InChIKey is NJHPQIDQPWDVKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NS2.3C4H9.Sn/c1-3-5-7-10(9(11)12)8-6-4-2;3*1-3-4-2;/h3-8H2,1-2H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl N,N-dibutylcarbamodithioate?
tributylstannyl N,N-dibutylcarbamodithioate has a molecular weight of 494.44 g/mol, XLogP of 8.25, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 3050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).