1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride

C13H15Cl2NS — CID 134989258

IUPAC1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride
SMILESCl/C(=N\C1CCCCC1)Sc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2NS/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2/b16-13+
InChIKeyAMKPHSHLMZYYBM-DTQAZKPQSA-N
MW288.24 g/mol
LogP5.36
Rot. Bonds2

About 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride

1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride (PubChem CID 134989258) has the molecular formula C13H15Cl2NS and a molecular weight of 288.24 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride
PubChem CID134989258
Molecular FormulaC13H15Cl2NS
Molecular Weight288.24 g/mol
Exact Mass287.03
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride
SMILESCl/C(=N\C1CCCCC1)Sc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2NS/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2/b16-13+
InChIKeyAMKPHSHLMZYYBM-DTQAZKPQSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
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-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
CID 4962567
2-(p-Chlorophenylthio)-5,6-dihydro-4H-1,3-thiazine
CID 618063
1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134917206
N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
CID 134917427
(4-chlorophenyl) N-methylethanimidothioate
CID 20641471
2-(4-Chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole
CID 22016848
2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
CID 22016880
4-[(4-Chlorophenyl)sulfanyl]cyclohexan-1-amine hydrochloride
CID 71755883
2-(4-Chlorophenyl)sulfanyl-5,5-dimethyl-4,6-dihydro-1,3-thiazine
CID 85930940

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride (CID 134989258) is 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride is Cl/C(=N\C1CCCCC1)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride?
The InChIKey is AMKPHSHLMZYYBM-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H15Cl2NS/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2/b16-13+.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride?
1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride has a molecular weight of 288.24 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride is sourced from PubChem (CID 134989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).