phenyl N-cyclohexylmethanimidothioate

C13H17NS — CID 12645881

IUPACphenyl N-cyclohexylmethanimidothioate
SMILESC(=N/C1CCCCC1)\Sc1ccccc1
InChIInChI=1S/C13H17NS/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+
InChIKeyQFBGJQXAHPJGEK-SDNWHVSQSA-N
MW219.35 g/mol
LogP4.14
Rot. Bonds3

About phenyl N-cyclohexylmethanimidothioate

phenyl N-cyclohexylmethanimidothioate (PubChem CID 12645881) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is phenyl N-cyclohexylmethanimidothioate.

Molecular Properties

Compound Namephenyl N-cyclohexylmethanimidothioate
PubChem CID12645881
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Namephenyl N-cyclohexylmethanimidothioate
SMILESC(=N/C1CCCCC1)\Sc1ccccc1
InChIInChI=1S/C13H17NS/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+
InChIKeyQFBGJQXAHPJGEK-SDNWHVSQSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.14
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

trans-2-Phenylthiocyclohexylamine
CID 13403702
Cyclohexylimino-methyl-oxo-phenyl-lambda6-sulfane
CID 134856245
2-(Phenylsulfanyl)cyclohexan-1-amine
CID 13403701
(3As,7ar)-2-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-benzothiazole
CID 12699792
6-Methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
CID 12791711
N-cyclohexyl-1,1-bis(phenylsulfanyl)methanimine
CID 16103377
N-butyl-1,1-bis(phenylsulfanyl)methanimine
CID 16103390
N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
CID 134917427
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989291
O-ethyl S-phenyl cyclohexylcarbonimidothioate
CID 146036169
N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
CID 15020972
N-(phenylsulfanylmethyl)methanimine
CID 15653912

Frequently Asked Questions

What is the IUPAC name of phenyl N-cyclohexylmethanimidothioate?
The IUPAC name of phenyl N-cyclohexylmethanimidothioate (CID 12645881) is phenyl N-cyclohexylmethanimidothioate.
What is the SMILES notation for phenyl N-cyclohexylmethanimidothioate?
The canonical SMILES for phenyl N-cyclohexylmethanimidothioate is C(=N/C1CCCCC1)\Sc1ccccc1.
What is the InChIKey of phenyl N-cyclohexylmethanimidothioate?
The InChIKey is QFBGJQXAHPJGEK-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H17NS/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+.
What are the key properties of phenyl N-cyclohexylmethanimidothioate?
phenyl N-cyclohexylmethanimidothioate has a molecular weight of 219.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-cyclohexylmethanimidothioate is sourced from PubChem (CID 12645881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).