pyridazin-3-yl N,N-dimethylcarbamodithioate

C7H9N3S2 — CID 131065614

IUPACpyridazin-3-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cccnn1
InChIInChI=1S/C7H9N3S2/c1-10(2)7(11)12-6-4-3-5-8-9-6/h3-5H,1-2H3
InChIKeyITBDBXFWOXSTPZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.42
Rot. Bonds1

About pyridazin-3-yl N,N-dimethylcarbamodithioate

pyridazin-3-yl N,N-dimethylcarbamodithioate (PubChem CID 131065614) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is pyridazin-3-yl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namepyridazin-3-yl N,N-dimethylcarbamodithioate
PubChem CID131065614
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Namepyridazin-3-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cccnn1
InChIInChI=1S/C7H9N3S2/c1-10(2)7(11)12-6-4-3-5-8-9-6/h3-5H,1-2H3
InChIKeyITBDBXFWOXSTPZ-UHFFFAOYSA-N
XLogP1.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl N,N-dimethylcarbamodithioate?
The IUPAC name of pyridazin-3-yl N,N-dimethylcarbamodithioate (CID 131065614) is pyridazin-3-yl N,N-dimethylcarbamodithioate.
What is the SMILES notation for pyridazin-3-yl N,N-dimethylcarbamodithioate?
The canonical SMILES for pyridazin-3-yl N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1cccnn1.
What is the InChIKey of pyridazin-3-yl N,N-dimethylcarbamodithioate?
The InChIKey is ITBDBXFWOXSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-10(2)7(11)12-6-4-3-5-8-9-6/h3-5H,1-2H3.
What are the key properties of pyridazin-3-yl N,N-dimethylcarbamodithioate?
pyridazin-3-yl N,N-dimethylcarbamodithioate has a molecular weight of 199.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 131065614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).