cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate

C9H16N2S — CID 131146191

IUPACcyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SC1C=CCCC1
InChIInChI=1S/C9H16N2S/c1-10-9(11-2)12-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyZNHUTLQIEIDZHM-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.03
Rot. Bonds1

About cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate

cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate (PubChem CID 131146191) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate
PubChem CID131146191
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Namecyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SC1C=CCCC1
InChIInChI=1S/C9H16N2S/c1-10-9(11-2)12-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyZNHUTLQIEIDZHM-UHFFFAOYSA-N
XLogP2.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate?
The IUPAC name of cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate (CID 131146191) is cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate?
The InChIKey is ZNHUTLQIEIDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-10-9(11-2)12-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,11).
What are the key properties of cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate?
cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate has a molecular weight of 184.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 131146191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).