N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride

C16H22ClNS — CID 134917428

IUPACN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1cc(C)c(S/C(Cl)=N/C2CCCCC2)c(C)c1
InChIInChI=1S/C16H22ClNS/c1-11-9-12(2)15(13(3)10-11)19-16(17)18-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3/b18-16+
InChIKeyVAALMMAZVUJVEY-FBMGVBCBSA-N
MW295.88 g/mol
LogP5.63
Rot. Bonds2

About N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride

N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride (PubChem CID 134917428) has the molecular formula C16H22ClNS and a molecular weight of 295.88 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
PubChem CID134917428
Molecular FormulaC16H22ClNS
Molecular Weight295.88 g/mol
Exact Mass295.12
IUPAC NameN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1cc(C)c(S/C(Cl)=N/C2CCCCC2)c(C)c1
InChIInChI=1S/C16H22ClNS/c1-11-9-12(2)15(13(3)10-11)19-16(17)18-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3/b18-16+
InChIKeyVAALMMAZVUJVEY-FBMGVBCBSA-N
XLogP5.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.88
LogP ≤ 55.63
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

N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917334
1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989120
N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
CID 134989294

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The IUPAC name of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride (CID 134917428) is N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride.
What is the SMILES notation for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The canonical SMILES for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride is Cc1cc(C)c(S/C(Cl)=N/C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
The InChIKey is VAALMMAZVUJVEY-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H22ClNS/c1-11-9-12(2)15(13(3)10-11)19-16(17)18-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3/b18-16+.
What are the key properties of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride?
N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride has a molecular weight of 295.88 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride is sourced from PubChem (CID 134917428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).