tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane

C22H38SSn — CID 15640193

IUPACtributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C\CCSc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C10H11S.3C4H9.Sn/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-3-4-2;/h1-2,4-8H,3,9H2;3*1,3-4H2,2H3;
InChIKeyDLZWPXDVBGHJHF-UHFFFAOYSA-N
MW453.32 g/mol
LogP8.11
Rot. Bonds14

About tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane

tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane (PubChem CID 15640193) has the molecular formula C22H38SSn and a molecular weight of 453.32 g/mol. Its IUPAC name is tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane
PubChem CID15640193
Molecular FormulaC22H38SSn
Molecular Weight453.32 g/mol
Exact Mass454.17
IUPAC Nametributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C\CCSc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C10H11S.3C4H9.Sn/c1-2-3-9-11-10-7-5-4-6-8-10;3*1-3-4-2;/h1-2,4-8H,3,9H2;3*1,3-4H2,2H3;
InChIKeyDLZWPXDVBGHJHF-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-5-phenylpent-1-enyl]stannane
CID 12793749
nickel;octylsulfanylbenzene
CID 157277722
[(E)-4-phenylsulfanylbut-1-enyl]sulfanylbenzene
CID 15920993
benzyl 5-tributylstannylpent-4-enoate
CID 68865303
(E)-6-phenylsulfanylhex-3-en-2-one
CID 71110058
octadec-2-enylsulfanylbenzene
CID 54280562
2-pentoxyethylsulfanylbenzene
CID 79403621
N-(2-bromoethyl)-N-(2-phenylsulfanylethyl)butan-1-amine
CID 80673627
CID 175796213
CID 175796213
methyl (E)-5-phenylsulfanylpent-2-enoate
CID 15864765
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 56610274
dibutyl-pentyl-phenylsulfanylstannane
CID 154067745

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane (CID 15640193) is tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane is CCCC[Sn](/C=C\CCSc1ccccc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane?
The InChIKey is DLZWPXDVBGHJHF-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;/h1-2,4-8H,3,9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane?
tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane has a molecular weight of 453.32 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane is sourced from PubChem (CID 15640193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).