1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine

C15H16ClN3S — CID 11381211

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3S/c1-2-18-15(17)19-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,2H2,1H3,(H3,17,18,19)
InChIKeyZIJLCEOYEUOLNB-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.24
Rot. Bonds4

About 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine

1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine (PubChem CID 11381211) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine
PubChem CID11381211
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3S/c1-2-18-15(17)19-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,2H2,1H3,(H3,17,18,19)
InChIKeyZIJLCEOYEUOLNB-UHFFFAOYSA-N
XLogP4.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.24
H-Bond Donors ≤ 52
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

Cns 5161
CID 192711
1H-Imidazol-2-amine, N-[4-[(4-chlorophenyl)thio]phenyl]-4,5-dihydro-
CID 11243628
N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11473193
2-(2-Chloro-5-methylsulfanylphenyl)-1-(3-iodophenyl)-1-methylguanidine
CID 11743499
Fluorfenidine (18F)
CID 16005087
2-(2-Chloro-5-methylsulfanylphenyl)-1-(3-fluorophenyl)-1-methylguanidine
CID 10087585
2-[2-chloro-5-((18F)fluoromethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine
CID 16005061
2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-(111C)methylsulfanylphenyl)guanidine
CID 46880337
Fluorfenidine
CID 54597266
Guanidine, ((p-chlorophenyl)sulfonyl)phenylamidino-
CID 215634
Guanidine, ((p-chlorophenyl)sulfonyl)phenylcarbamoyl-
CID 215637
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-1-(4-((4-chlorophenyl)sulfonyl)phenyl)-6,6-dimethyl-,monohydrochloride
CID 3065989

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine (CID 11381211) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine is CC/N=C(\N)Nc1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine?
The InChIKey is ZIJLCEOYEUOLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-2-18-15(17)19-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,2H2,1H3,(H3,17,18,19).
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine has a molecular weight of 305.83 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanylphenyl]-2-ethylguanidine is sourced from PubChem (CID 11381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).