tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane

C22H38OSSn — CID 11975278

IUPACtributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COC)Sc1ccccc1
InChIInChI=1S/C10H11OS.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-7H,8H2,1H3;3*1,3-4H2,2H3;
InChIKeyMWKGIETUOJUJAM-UHFFFAOYSA-N
MW469.32 g/mol
LogP7.70
Rot. Bonds14

About tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane

tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane (PubChem CID 11975278) has the molecular formula C22H38OSSn and a molecular weight of 469.32 g/mol. Its IUPAC name is tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
PubChem CID11975278
Molecular FormulaC22H38OSSn
Molecular Weight469.32 g/mol
Exact Mass470.17
IUPAC Nametributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COC)Sc1ccccc1
InChIInChI=1S/C10H11OS.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-7H,8H2,1H3;3*1,3-4H2,2H3;
InChIKeyMWKGIETUOJUJAM-UHFFFAOYSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.32
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((Methoxymethyl)thio)benzene
CID 542598
1-Butoxy-2-phenylmercaptoethane
CID 271491
[Methoxy(phenylsulfanyl)methyl]-trimethylgermane
CID 10635795
[(Z)-2-iodo-3-prop-2-enoxyprop-1-enyl]sulfanylbenzene
CID 12176941
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
CID 132507900
[(E)-1-methoxypent-1-enyl]sulfanylbenzene
CID 134921401
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
CID 135077081
[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
Tributyl-(4-methylsulfanylphenyl)stannane
CID 12787768
[(1-Methoxyethyl)sulfanyl]benzene
CID 13358293
O-ethyl phenylsulfanylmethanethioate
CID 14043862
[(2E,6E,10E,14E,18E,22E)-1-(fluoromethoxy)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-13-yl]sulfanylbenzene
CID 58409855

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane (CID 11975278) is tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/COC)Sc1ccccc1.
What is the InChIKey of tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane?
The InChIKey is MWKGIETUOJUJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11OS.3C4H9.Sn/c1-11-8-5-9-12-10-6-3-2-4-7-10;3*1-3-4-2;/h2-7H,8H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane?
tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane has a molecular weight of 469.32 g/mol, XLogP of 7.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane is sourced from PubChem (CID 11975278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).