[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate

C32H50N2S4Sn — CID 10794904

IUPAC[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)S[Sn](Cc1ccccc1)(Cc1ccccc1)SC(=S)N(CCCC)CCCC
InChIInChI=1S/2C9H19NS2.2C7H7.Sn/c2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3,(H,11,12);2*2-6H,1H2;/q;;;;+2/p-2
InChIKeyNFMQDULRRGVKOU-UHFFFAOYSA-L
MW709.75 g/mol
LogP9.83
Rot. Bonds18

About [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate

[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate (PubChem CID 10794904) has the molecular formula C32H50N2S4Sn and a molecular weight of 709.75 g/mol. Its IUPAC name is [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Name[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
PubChem CID10794904
Molecular FormulaC32H50N2S4Sn
Molecular Weight709.75 g/mol
Exact Mass710.19
IUPAC Name[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)S[Sn](Cc1ccccc1)(Cc1ccccc1)SC(=S)N(CCCC)CCCC
InChIInChI=1S/2C9H19NS2.2C7H7.Sn/c2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3,(H,11,12);2*2-6H,1H2;/q;;;;+2/p-2
InChIKeyNFMQDULRRGVKOU-UHFFFAOYSA-L
XLogP9.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.75
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylbenzenecarbothioamide
CID 12716080
phenyl N,N-dipropylcarbamodithioate
CID 132502476
benzenesulfonamido N,N-dibutylcarbamodithioate
CID 88798592
1,1-dibutyl-3-phenylthiourea
CID 3101699
N-benzyl-N-butylpropanamide
CID 12502571
dibenzyl-butyl-chlorostannane
CID 14517512
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CID 90091780
butylbenzene;hydroxylamine
CID 175142403
hexylbenzene;hydrogen peroxide
CID 90001206
N-butyl-N-phenylsulfanylbutan-1-amine
CID 91484736
1,1-dihexyl-3,3-diphenylthiourea
CID 20549673
N,N-dibutyl-1-diphenylphosphorylformamide
CID 15461320

Frequently Asked Questions

What is the IUPAC name of [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate?
The IUPAC name of [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate (CID 10794904) is [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate.
What is the SMILES notation for [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate?
The canonical SMILES for [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)S[Sn](Cc1ccccc1)(Cc1ccccc1)SC(=S)N(CCCC)CCCC.
What is the InChIKey of [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate?
The InChIKey is NFMQDULRRGVKOU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NS2.2C7H7.Sn/c2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3,(H,11,12);2*2-6H,1H2;/q;;;;+2/p-2.
What are the key properties of [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate?
[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate has a molecular weight of 709.75 g/mol, XLogP of 9.83, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate is sourced from PubChem (CID 10794904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).