tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane

C25H44O2SSn — CID 135076247

IUPACtributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane
SMILESCCCC/C=C(\S(=O)(=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17O2S.3C4H9.Sn/c1-3-4-5-6-11-16(14,15)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyFCORBCFVBMSNEV-UHFFFAOYSA-N
MW527.40 g/mol
LogP8.23
Rot. Bonds15

About tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane

tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane (PubChem CID 135076247) has the molecular formula C25H44O2SSn and a molecular weight of 527.40 g/mol. Its IUPAC name is tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane
PubChem CID135076247
Molecular FormulaC25H44O2SSn
Molecular Weight527.40 g/mol
Exact Mass528.21
IUPAC Nametributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane
SMILESCCCC/C=C(\S(=O)(=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17O2S.3C4H9.Sn/c1-3-4-5-6-11-16(14,15)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyFCORBCFVBMSNEV-UHFFFAOYSA-N
XLogP8.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.40
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
Tosylmethyl isocyanide
CID 161915
4-Toluenesulfonyl chloride
CID 7397
Methyl p-toluenesulfonate
CID 6645
4-Ethylbenzenesulfonic acid
CID 7402
(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
Sodium p-decylbenzenesulfonate
CID 23671430
SC-57666
CID 443373
p-Dodecylbenzenesulfonic acid
CID 8485
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzenesulfonic acid, undecyl-
CID 38222

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane (CID 135076247) is tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane is CCCC/C=C(\S(=O)(=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane?
The InChIKey is FCORBCFVBMSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2S.3C4H9.Sn/c1-3-4-5-6-11-16(14,15)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane?
tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane has a molecular weight of 527.40 g/mol, XLogP of 8.23, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane is sourced from PubChem (CID 135076247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).