N-(1-phenylsulfanylethyl)methanimine

C9H11NS — CID 20684097

IUPACN-(1-phenylsulfanylethyl)methanimine
SMILESC=NC(C)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySXMRAIGIEKNJBQ-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.83
Rot. Bonds3

About N-(1-phenylsulfanylethyl)methanimine

N-(1-phenylsulfanylethyl)methanimine (PubChem CID 20684097) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(1-phenylsulfanylethyl)methanimine.

Molecular Properties

Compound NameN-(1-phenylsulfanylethyl)methanimine
PubChem CID20684097
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-(1-phenylsulfanylethyl)methanimine
SMILESC=NC(C)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySXMRAIGIEKNJBQ-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Phenyl-2-aminoethyl sulfide
CID 37013
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Phenylthiopropylamine
CID 150958
Benzene, (butylthio)-
CID 136905
Ethanamine, 2-(phenylthio)-, hydrochloride
CID 37012
4-Isothiocyanatobutylsulfinylbenzene
CID 60149024
[(E)-4-isothiocyanatobut-1-enyl]sulfinylbenzene
CID 134216299
N,N-dimethyl-4-phenylsulfanylbutan-1-amine
CID 12272159
[(4-Aminobutyl)sulfanyl]benzene
CID 14708924
((1-Methylethyl)thio)benzene
CID 76397
Guanidine, (2-(phenylthio)ethyl)-
CID 39442

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylsulfanylethyl)methanimine?
The IUPAC name of N-(1-phenylsulfanylethyl)methanimine (CID 20684097) is N-(1-phenylsulfanylethyl)methanimine.
What is the SMILES notation for N-(1-phenylsulfanylethyl)methanimine?
The canonical SMILES for N-(1-phenylsulfanylethyl)methanimine is C=NC(C)Sc1ccccc1.
What is the InChIKey of N-(1-phenylsulfanylethyl)methanimine?
The InChIKey is SXMRAIGIEKNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of N-(1-phenylsulfanylethyl)methanimine?
N-(1-phenylsulfanylethyl)methanimine has a molecular weight of 165.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylsulfanylethyl)methanimine is sourced from PubChem (CID 20684097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).