N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride

C13H16ClNS — CID 134917427

IUPACN-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C13H16ClNS/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2/b15-13+
InChIKeyYUZYFHRSXOFHHQ-FYWRMAATSA-N
MW253.80 g/mol
LogP4.71
Rot. Bonds2

About N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride

N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride (PubChem CID 134917427) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
PubChem CID134917427
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC NameN-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C13H16ClNS/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2/b15-13+
InChIKeyYUZYFHRSXOFHHQ-FYWRMAATSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.71
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

phenyl N-cyclohexylmethanimidothioate
CID 12645881
(3As,7ar)-2-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-benzothiazole
CID 12699792
N-cyclohexyl-1,1-bis(phenylsulfanyl)methanimine
CID 16103377
N-butyl-1,1-bis(phenylsulfanyl)methanimine
CID 16103390
1-(4-chlorophenyl)sulfanyl-N-cyclohexylmethanimidoyl chloride
CID 134989258
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989291
N-cyclohexyl-1-(4-methylphenyl)sulfanylmethanimidoyl chloride
CID 134989294
O-ethyl S-phenyl cyclohexylcarbonimidothioate
CID 146036169
N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
CID 15020972
butyl N-cyclohexyl-3-phenylsulfanylprop-2-enimidothioate
CID 140097023
Cyclohexyl-[hydroxy(phenylsulfanyl)methylidene]azanium
CID 172773797
N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine
CID 13108547

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride?
The IUPAC name of N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride (CID 134917427) is N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride.
What is the SMILES notation for N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride?
The canonical SMILES for N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride is Cl/C(=N\C1CCCCC1)Sc1ccccc1.
What is the InChIKey of N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride?
The InChIKey is YUZYFHRSXOFHHQ-FYWRMAATSA-N. The full InChI is InChI=1S/C13H16ClNS/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2/b15-13+.
What are the key properties of N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride?
N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride has a molecular weight of 253.80 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride is sourced from PubChem (CID 134917427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).