bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)

C20H26Cl2N2S4Sn-4 — CID 5248252

IUPACbis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)
SMILESCN(C)C([S-])[S-].CN(C)C([S-])[S-].Clc1ccc(C[Sn]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/2C7H6Cl.2C3H9NS2.Sn/c2*1-6-2-4-7(8)5-3-6;2*1-4(2)3(5)6;/h2*2-5H,1H2;2*3,5-6H,1-2H3;/p-4
InChIKeyUTIDMZVVHMQBBE-UHFFFAOYSA-J
MW612.33 g/mol
LogP4.25
Rot. Bonds6

About bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)

bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate) (PubChem CID 5248252) has the molecular formula C20H26Cl2N2S4Sn-4 and a molecular weight of 612.33 g/mol. Its IUPAC name is bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate).

Molecular Properties

Compound Namebis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)
PubChem CID5248252
Molecular FormulaC20H26Cl2N2S4Sn-4
Molecular Weight612.33 g/mol
Exact Mass611.94
IUPAC Namebis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)
SMILESCN(C)C([S-])[S-].CN(C)C([S-])[S-].Clc1ccc(C[Sn]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/2C7H6Cl.2C3H9NS2.Sn/c2*1-6-2-4-7(8)5-3-6;2*1-4(2)3(5)6;/h2*2-5H,1H2;2*3,5-6H,1-2H3;/p-4
InChIKeyUTIDMZVVHMQBBE-UHFFFAOYSA-J
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
CID 132967057
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
(4-chlorophenyl)methyl-methylazanide
CID 54690230
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462

Frequently Asked Questions

What is the IUPAC name of bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)?
The IUPAC name of bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate) (CID 5248252) is bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate).
What is the SMILES notation for bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)?
The canonical SMILES for bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate) is CN(C)C([S-])[S-].CN(C)C([S-])[S-].Clc1ccc(C[Sn]Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)?
The InChIKey is UTIDMZVVHMQBBE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6Cl.2C3H9NS2.Sn/c2*1-6-2-4-7(8)5-3-6;2*1-4(2)3(5)6;/h2*2-5H,1H2;2*3,5-6H,1-2H3;/p-4.
What are the key properties of bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)?
bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate) has a molecular weight of 612.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate) is sourced from PubChem (CID 5248252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).