pentyl N-pentylcarbamodithioate;zinc

C11H23NS2Zn — CID 175108822

IUPACpentyl N-pentylcarbamodithioate;zinc
SMILESCCCCCNC(=S)SCCCCC.[Zn]
InChIInChI=1S/C11H23NS2.Zn/c1-3-5-7-9-12-11(13)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,12,13);
InChIKeyHOGPFYSZNYSUAU-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.97
Rot. Bonds8

About pentyl N-pentylcarbamodithioate;zinc

pentyl N-pentylcarbamodithioate;zinc (PubChem CID 175108822) has the molecular formula C11H23NS2Zn and a molecular weight of 298.84 g/mol. Its IUPAC name is pentyl N-pentylcarbamodithioate;zinc.

Molecular Properties

Compound Namepentyl N-pentylcarbamodithioate;zinc
PubChem CID175108822
Molecular FormulaC11H23NS2Zn
Molecular Weight298.84 g/mol
Exact Mass297.06
IUPAC Namepentyl N-pentylcarbamodithioate;zinc
SMILESCCCCCNC(=S)SCCCCC.[Zn]
InChIInChI=1S/C11H23NS2.Zn/c1-3-5-7-9-12-11(13)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,12,13);
InChIKeyHOGPFYSZNYSUAU-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-dodecylcarbamodithioate;iron
CID 175497864
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CID 174676976
lithium;butyl N-butylcarbamodithioate;hydride
CID 175317251
octyl N-(3-triethoxysilylpropyl)carbamodithioate
CID 20568269
1-dodecyl-3-methylthiourea
CID 5151745
pentyl ethanedithioate
CID 157162445
octyl nonanedithioate
CID 3826272
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CID 174514377
1-hexyl-3-[4-[4-(hexylcarbamoylamino)butyldisulfanyl]butyl]urea
CID 167732095
1-butyl-3-heptylthiourea
CID 19650868
pentylthiourea;hydrochloride
CID 87769181
heptyl carbamodithioate
CID 3738854

Frequently Asked Questions

What is the IUPAC name of pentyl N-pentylcarbamodithioate;zinc?
The IUPAC name of pentyl N-pentylcarbamodithioate;zinc (CID 175108822) is pentyl N-pentylcarbamodithioate;zinc.
What is the SMILES notation for pentyl N-pentylcarbamodithioate;zinc?
The canonical SMILES for pentyl N-pentylcarbamodithioate;zinc is CCCCCNC(=S)SCCCCC.[Zn].
What is the InChIKey of pentyl N-pentylcarbamodithioate;zinc?
The InChIKey is HOGPFYSZNYSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2.Zn/c1-3-5-7-9-12-11(13)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,12,13);.
What are the key properties of pentyl N-pentylcarbamodithioate;zinc?
pentyl N-pentylcarbamodithioate;zinc has a molecular weight of 298.84 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-pentylcarbamodithioate;zinc is sourced from PubChem (CID 175108822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).