ethyl N'-(4-cyclohexylphenyl)carbamimidothioate

C15H22N2S — CID 10753994

IUPACethyl N'-(4-cyclohexylphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-2-18-15(16)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H2,16,17)
InChIKeyQVIRIPNWWMETQS-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.43
Rot. Bonds3

About ethyl N'-(4-cyclohexylphenyl)carbamimidothioate

ethyl N'-(4-cyclohexylphenyl)carbamimidothioate (PubChem CID 10753994) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl N'-(4-cyclohexylphenyl)carbamimidothioate.

Molecular Properties

Compound Nameethyl N'-(4-cyclohexylphenyl)carbamimidothioate
PubChem CID10753994
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Nameethyl N'-(4-cyclohexylphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-2-18-15(16)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H2,16,17)
InChIKeyQVIRIPNWWMETQS-UHFFFAOYSA-N
XLogP4.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.43
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

S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
Guanidine, 4,4'-methylenediphenyldi-
CID 24484
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2133441
methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
CID 3495063
4,4'-Diguanidinobiphenyl
CID 227282
S-Ethyl N-[4-Triflurormethyl)phenyl]isothio Urea, Hydrochloride
CID 2733516
2-Ethyl-1-(4-isopropyl-phenyl)-isothiourea; hydrochloride
CID 10656678
2-Ethyl-1-p-tolyl-isothiourea; hydrochloride
CID 10797903
1-(4-tert-Butylphenyl)guanidine
CID 15662596
2-[4-[2-[4-(Diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine
CID 24799808
N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3775826
benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
CID 3727516

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(4-cyclohexylphenyl)carbamimidothioate?
The IUPAC name of ethyl N'-(4-cyclohexylphenyl)carbamimidothioate (CID 10753994) is ethyl N'-(4-cyclohexylphenyl)carbamimidothioate.
What is the SMILES notation for ethyl N'-(4-cyclohexylphenyl)carbamimidothioate?
The canonical SMILES for ethyl N'-(4-cyclohexylphenyl)carbamimidothioate is CCS/C(N)=N\c1ccc(C2CCCCC2)cc1.
What is the InChIKey of ethyl N'-(4-cyclohexylphenyl)carbamimidothioate?
The InChIKey is QVIRIPNWWMETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-18-15(16)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H2,16,17).
What are the key properties of ethyl N'-(4-cyclohexylphenyl)carbamimidothioate?
ethyl N'-(4-cyclohexylphenyl)carbamimidothioate has a molecular weight of 262.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(4-cyclohexylphenyl)carbamimidothioate is sourced from PubChem (CID 10753994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).