chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide

C16H27ClSZn — CID 15977151

IUPACchlorozinc(1+);4-dodecyl-3H-thiophen-3-ide
SMILESCCCCCCCCCCCCc1[c-]csc1.Cl[Zn+]
InChIInChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h14-15H,2-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPZNCOYSDQXKLGR-UHFFFAOYSA-M
MW352.30 g/mol
LogP6.70
Rot. Bonds11

About chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide

chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide (PubChem CID 15977151) has the molecular formula C16H27ClSZn and a molecular weight of 352.30 g/mol. Its IUPAC name is chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide.

Molecular Properties

Compound Namechlorozinc(1+);4-dodecyl-3H-thiophen-3-ide
PubChem CID15977151
Molecular FormulaC16H27ClSZn
Molecular Weight352.30 g/mol
Exact Mass350.08
IUPAC Namechlorozinc(1+);4-dodecyl-3H-thiophen-3-ide
SMILESCCCCCCCCCCCCc1[c-]csc1.Cl[Zn+]
InChIInChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h14-15H,2-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPZNCOYSDQXKLGR-UHFFFAOYSA-M
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide?
The IUPAC name of chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide (CID 15977151) is chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide.
What is the SMILES notation for chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide?
The canonical SMILES for chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide is CCCCCCCCCCCCc1[c-]csc1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide?
The InChIKey is PZNCOYSDQXKLGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27S.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h14-15H,2-12H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide?
chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide has a molecular weight of 352.30 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);4-dodecyl-3H-thiophen-3-ide is sourced from PubChem (CID 15977151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).