1,1-dibutylthiourea;zinc

C9H20N2SZn — CID 175070562

IUPAC1,1-dibutylthiourea;zinc
SMILESCCCCN(CCCC)C(N)=S.[Zn]
InChIInChI=1S/C9H20N2S.Zn/c1-3-5-7-11(9(10)12)8-6-4-2;/h3-8H2,1-2H3,(H2,10,12);
InChIKeyWYYCIESUDUIUON-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.13
Rot. Bonds6

About 1,1-dibutylthiourea;zinc

1,1-dibutylthiourea;zinc (PubChem CID 175070562) has the molecular formula C9H20N2SZn and a molecular weight of 253.73 g/mol. Its IUPAC name is 1,1-dibutylthiourea;zinc.

Molecular Properties

Compound Name1,1-dibutylthiourea;zinc
PubChem CID175070562
Molecular FormulaC9H20N2SZn
Molecular Weight253.73 g/mol
Exact Mass252.06
IUPAC Name1,1-dibutylthiourea;zinc
SMILESCCCCN(CCCC)C(N)=S.[Zn]
InChIInChI=1S/C9H20N2S.Zn/c1-3-5-7-11(9(10)12)8-6-4-2;/h3-8H2,1-2H3,(H2,10,12);
InChIKeyWYYCIESUDUIUON-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-1,1-dibutylthiourea;hydrochloride
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bis(N,N-dipentylcarbamodithioate);zinc
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dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
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N,N-dibutyl-2-[2-[2-(dibutylamino)-2-sulfanylideneethoxy]ethoxy]ethanethioamide
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CID 162055102

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutylthiourea;zinc?
The IUPAC name of 1,1-dibutylthiourea;zinc (CID 175070562) is 1,1-dibutylthiourea;zinc.
What is the SMILES notation for 1,1-dibutylthiourea;zinc?
The canonical SMILES for 1,1-dibutylthiourea;zinc is CCCCN(CCCC)C(N)=S.[Zn].
What is the InChIKey of 1,1-dibutylthiourea;zinc?
The InChIKey is WYYCIESUDUIUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S.Zn/c1-3-5-7-11(9(10)12)8-6-4-2;/h3-8H2,1-2H3,(H2,10,12);.
What are the key properties of 1,1-dibutylthiourea;zinc?
1,1-dibutylthiourea;zinc has a molecular weight of 253.73 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutylthiourea;zinc is sourced from PubChem (CID 175070562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).