butyl carbamodithioate;zinc

C5H11NS2Zn — CID 87559043

IUPACbutyl carbamodithioate;zinc
SMILESCCCCSC(N)=S.[Zn]
InChIInChI=1S/C5H11NS2.Zn/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);
InChIKeyLHHWXUZPVXOLTD-UHFFFAOYSA-N
MW214.67 g/mol
LogP1.76
Rot. Bonds3

About butyl carbamodithioate;zinc

butyl carbamodithioate;zinc (PubChem CID 87559043) has the molecular formula C5H11NS2Zn and a molecular weight of 214.67 g/mol. Its IUPAC name is butyl carbamodithioate;zinc.

Molecular Properties

Compound Namebutyl carbamodithioate;zinc
PubChem CID87559043
Molecular FormulaC5H11NS2Zn
Molecular Weight214.67 g/mol
Exact Mass212.96
IUPAC Namebutyl carbamodithioate;zinc
SMILESCCCCSC(N)=S.[Zn]
InChIInChI=1S/C5H11NS2.Zn/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);
InChIKeyLHHWXUZPVXOLTD-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of butyl carbamodithioate;zinc?
The IUPAC name of butyl carbamodithioate;zinc (CID 87559043) is butyl carbamodithioate;zinc.
What is the SMILES notation for butyl carbamodithioate;zinc?
The canonical SMILES for butyl carbamodithioate;zinc is CCCCSC(N)=S.[Zn].
What is the InChIKey of butyl carbamodithioate;zinc?
The InChIKey is LHHWXUZPVXOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.Zn/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);.
What are the key properties of butyl carbamodithioate;zinc?
butyl carbamodithioate;zinc has a molecular weight of 214.67 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl carbamodithioate;zinc is sourced from PubChem (CID 87559043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).