methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate

C11H16N2S — CID 45094873

IUPACmethyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate
SMILESCCc1cccc(C)c1/N=C(/N)SC
InChIInChI=1S/C11H16N2S/c1-4-9-7-5-6-8(2)10(9)13-11(12)14-3/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyGLEXJTNUEKNXNG-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.87
Rot. Bonds2

About methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate

methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate (PubChem CID 45094873) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate
PubChem CID45094873
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Namemethyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate
SMILESCCc1cccc(C)c1/N=C(/N)SC
InChIInChI=1S/C11H16N2S/c1-4-9-7-5-6-8(2)10(9)13-11(12)14-3/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyGLEXJTNUEKNXNG-UHFFFAOYSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.87
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'}

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Related Compounds

1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
2-(2-ethyl-6-methylphenyl)ethanethioamide
CID 149269494
[N'-(2,6-dimethylphenyl)carbamimidoyl]sulfanylmethyl 2-methylpropanoate
CID 71209432
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
methyl N-(2-ethyl-6-methylphenyl)methanimidate
CID 15176777
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
1-N,2-N-bis(2-ethyl-6-methylphenyl)acenaphthylene-1,2-diimine;carbanide;nickel
CID 20789314
(5-methyl-1,2-oxazol-3-yl)methyl N'-(2,6-diethylphenyl)carbamimidothioate;hydrochloride
CID 71901324
N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
CID 22968266
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
N'-(2,6-diethylphenyl)cyclohexanecarboximidamide
CID 63174092

Frequently Asked Questions

What is the IUPAC name of methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate?
The IUPAC name of methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate (CID 45094873) is methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate.
What is the SMILES notation for methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate?
The canonical SMILES for methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate is CCc1cccc(C)c1/N=C(/N)SC.
What is the InChIKey of methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate?
The InChIKey is GLEXJTNUEKNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-9-7-5-6-8(2)10(9)13-11(12)14-3/h5-7H,4H2,1-3H3,(H2,12,13).
What are the key properties of methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate?
methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate has a molecular weight of 208.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate is sourced from PubChem (CID 45094873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).