bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin

C32H50N4S4Sn — CID 3579821

IUPACbis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin
SMILESCCCC[Sn]CCCC.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1
InChIInChI=1S/2C12H16N2S2.2C4H9.Sn/c2*1-3-10(2)13-14-12(15)16-9-11-7-5-4-6-8-11;2*1-3-4-2;/h2*4-8H,3,9H2,1-2H3,(H,14,15);2*1,3-4H2,2H3;
InChIKeyFXSFUQLBNOZYQT-UHFFFAOYSA-N
MW737.76 g/mol
LogP10.02
Rot. Bonds14

About bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin

bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin (PubChem CID 3579821) has the molecular formula C32H50N4S4Sn and a molecular weight of 737.76 g/mol. Its IUPAC name is bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin.

Molecular Properties

Compound Namebis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin
PubChem CID3579821
Molecular FormulaC32H50N4S4Sn
Molecular Weight737.76 g/mol
Exact Mass738.19
IUPAC Namebis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin
SMILESCCCC[Sn]CCCC.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1
InChIInChI=1S/2C12H16N2S2.2C4H9.Sn/c2*1-3-10(2)13-14-12(15)16-9-11-7-5-4-6-8-11;2*1-3-4-2;/h2*4-8H,3,9H2,1-2H3,(H,14,15);2*1,3-4H2,2H3;
InChIKeyFXSFUQLBNOZYQT-UHFFFAOYSA-N
XLogP10.02
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.76
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);platinum
CID 3253054
Copper;bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide)
CID 3409011
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);nickel
CID 3876462
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);ZINC
CID 4034096
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);palladium
CID 4235717
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide);platinum
CID 4334168
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide);ZINC
CID 4573145
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide);palladium
CID 4668813
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide);nickel
CID 5191583
Copper;bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide)
CID 5197643
Bis((benzylideneamino)-[benzylsulfanyl(sulfoniumylidene)methyl]azanide);dibutyltin
CID 5210252
bis(benzyl N-(butan-2-ylideneamino)carbamodithioate);dibutyltin
CID 50910755

Frequently Asked Questions

What is the IUPAC name of bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin?
The IUPAC name of bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin (CID 3579821) is bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin.
What is the SMILES notation for bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin?
The canonical SMILES for bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin is CCCC[Sn]CCCC.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1.[H]/[S+]=C(/[N-]N=C(C)CC)SCc1ccccc1.
What is the InChIKey of bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin?
The InChIKey is FXSFUQLBNOZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16N2S2.2C4H9.Sn/c2*1-3-10(2)13-14-12(15)16-9-11-7-5-4-6-8-11;2*1-3-4-2;/h2*4-8H,3,9H2,1-2H3,(H,14,15);2*1,3-4H2,2H3;.
What are the key properties of bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin?
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin has a molecular weight of 737.76 g/mol, XLogP of 10.02, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([benzylsulfanyl(sulfoniumylidene)methyl]-(butan-2-ylideneamino)azanide);dibutyltin is sourced from PubChem (CID 3579821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).