2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide

C19H23ClN2S2 — CID 159215814

IUPAC2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1cc(SCCC)ccc1Cl)N(C)c1cccc(SC)c1
InChIInChI=1S/C19H23ClN2S2/c1-4-10-24-17-8-9-18(20)14(11-17)12-19(21)22(2)15-6-5-7-16(13-15)23-3/h5-9,11,13,21H,4,10,12H2,1-3H3/b21-19-
InChIKeyMIROXFMBNMRQAD-VZCXRCSSSA-N
MW378.99 g/mol
LogP6.22
Rot. Bonds7

About 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide

2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide (PubChem CID 159215814) has the molecular formula C19H23ClN2S2 and a molecular weight of 378.99 g/mol. Its IUPAC name is 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
PubChem CID159215814
Molecular FormulaC19H23ClN2S2
Molecular Weight378.99 g/mol
Exact Mass378.10
IUPAC Name2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1cc(SCCC)ccc1Cl)N(C)c1cccc(SC)c1
InChIInChI=1S/C19H23ClN2S2/c1-4-10-24-17-8-9-18(20)14(11-17)12-19(21)22(2)15-6-5-7-16(13-15)23-3/h5-9,11,13,21H,4,10,12H2,1-3H3/b21-19-
InChIKeyMIROXFMBNMRQAD-VZCXRCSSSA-N
XLogP6.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.99
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-Chloro-3-ethyl-5-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45265290
N''-(2-Chloro-3-ethyl-5-methylsulfanyl-phenyl)-N-(3-ethyl-phenyl)-N-methyl-guanidine; hydrochloride
CID 44356573
2-(5-Benzylsulfanyl-2-chlorophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine
CID 16005092
1-(3-Benzylsulfanylphenyl)-2-(2-chloro-5-methylsulfanylphenyl)-1-methylguanidine
CID 16005094
1-(2-Chloro-5-ethylsulfanylphenyl)-2-(3-ethylphenyl)-1-methylguanidine
CID 18751646
1-(2-Chloro-5-ethylsulfanylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine
CID 18751658
2-(2-Chloro-5-ethylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
CID 18752325
2-(2-chloro-5-methylsulfanylphenyl)-N-methyl-N-[3-[(R)-methylsulfinyl]phenyl]ethanimidamide
CID 60084386
N'-(1-amino-2-methylprop-1-enyl)-N-(4-pentylsulfanylphenyl)ethanimidamide;1-chloro-2-methylbenzene;ethane
CID 142932242
2-[5-[[3-[[amino-(N-methyl-3-methylsulfanylanilino)methylidene]amino]-4-chlorophenyl]disulfanyl]-2-chlorophenyl]-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
CID 148582820
2-(2-chloro-5-sulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
CID 158347915
2-[2-chloro-5-(2-(18F)fluoroethylsulfanyl)phenyl]-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide;2-[2-chloro-5-((18F)fluoromethylsulfanyl)phenyl]-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide
CID 158949975

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide?
The IUPAC name of 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide (CID 159215814) is 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide.
What is the SMILES notation for 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide?
The canonical SMILES for 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide is [H]/N=C(/Cc1cc(SCCC)ccc1Cl)N(C)c1cccc(SC)c1.
What is the InChIKey of 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide?
The InChIKey is MIROXFMBNMRQAD-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23ClN2S2/c1-4-10-24-17-8-9-18(20)14(11-17)12-19(21)22(2)15-6-5-7-16(13-15)23-3/h5-9,11,13,21H,4,10,12H2,1-3H3/b21-19-.
What are the key properties of 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide?
2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide has a molecular weight of 378.99 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-propylsulfanylphenyl)-N-methyl-N-(3-methylsulfanylphenyl)ethanimidamide is sourced from PubChem (CID 159215814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).