tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane

C22H38SSn — CID 177466862

IUPACtributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
SMILESCC/C=C(/Sc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H11S.3C4H9.Sn/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-3-4-2;/h3-8H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeySRFDSDWQESWQRI-UHFFFAOYSA-N
MW453.32 g/mol
LogP8.46
Rot. Bonds13

About tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane

tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane (PubChem CID 177466862) has the molecular formula C22H38SSn and a molecular weight of 453.32 g/mol. Its IUPAC name is tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
PubChem CID177466862
Molecular FormulaC22H38SSn
Molecular Weight453.32 g/mol
Exact Mass454.17
IUPAC Nametributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
SMILESCC/C=C(/Sc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H11S.3C4H9.Sn/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-3-4-2;/h3-8H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeySRFDSDWQESWQRI-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tributyl-[(Z)-1-phenylsulfanylbut-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

tributyl-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]stannane
CID 135076440
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
dibutyl-pentyl-phenylsulfanylstannane
CID 154067745

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane (CID 177466862) is tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane is CC/C=C(/Sc1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane?
The InChIKey is SRFDSDWQESWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11S.3C4H9.Sn/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-3-4-2;/h3-8H,2H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane?
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane has a molecular weight of 453.32 g/mol, XLogP of 8.46, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane is sourced from PubChem (CID 177466862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).