N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride

C14H18ClNS — CID 134989294

IUPACN-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1ccc(S/C(Cl)=N/C2CCCCC2)cc1
InChIInChI=1S/C14H18ClNS/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3/b16-14+
InChIKeyNXGAAGJKLCHONC-JQIJEIRASA-N
MW267.82 g/mol
LogP5.01
Rot. Bonds2

About N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride

N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride (PubChem CID 134989294) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
PubChem CID134989294
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC NameN-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
SMILESCc1ccc(S/C(Cl)=N/C2CCCCC2)cc1
InChIInChI=1S/C14H18ClNS/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3/b16-14+
InChIKeyNXGAAGJKLCHONC-JQIJEIRASA-N
XLogP5.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.82
LogP ≤ 55.01
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,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine
CID 10107776
N-benzyl-1-phenylsulfanylmethanimidoyl chloride
CID 15650988
N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917334
N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
CID 134917427
N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917428
1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989120
2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
CID 22016872
benzyl N-cyclohexylethanimidothioate
CID 57887710
4-(4-Methylsulfanylphenyl)butan-2-amine;hydrochloride
CID 141000074
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclohexanamine
CID 141773626
3-(4-Methylphenyl)sulfanyl-2-thia-4-azabicyclo[3.1.0]hex-3-ene
CID 142096306

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride?
The IUPAC name of N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride (CID 134989294) is N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride.
What is the SMILES notation for N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride?
The canonical SMILES for N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride is Cc1ccc(S/C(Cl)=N/C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride?
The InChIKey is NXGAAGJKLCHONC-JQIJEIRASA-N. The full InChI is InChI=1S/C14H18ClNS/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3/b16-14+.
What are the key properties of N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride?
N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride has a molecular weight of 267.82 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride is sourced from PubChem (CID 134989294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).