[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate

C11H14NS2+ — CID 164680473

IUPAC[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC/C=C1\C=CC=C[CH+]1
InChIInChI=1S/C11H14NS2/c1-12(2)11(13)14-9-8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1
InChIKeyQPYJUJHWEFRDJG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.82
Rot. Bonds2

About [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate

[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate (PubChem CID 164680473) has the molecular formula C11H14NS2+ and a molecular weight of 224.37 g/mol. Its IUPAC name is [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate
PubChem CID164680473
Molecular FormulaC11H14NS2+
Molecular Weight224.37 g/mol
Exact Mass224.06
IUPAC Name[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC/C=C1\C=CC=C[CH+]1
InChIInChI=1S/C11H14NS2/c1-12(2)11(13)14-9-8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1
InChIKeyQPYJUJHWEFRDJG-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate (CID 164680473) is [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SC/C=C1\C=CC=C[CH+]1.
What is the InChIKey of [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate?
The InChIKey is QPYJUJHWEFRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NS2/c1-12(2)11(13)14-9-8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1.
What are the key properties of [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate?
[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate has a molecular weight of 224.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 164680473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).