N-(phenylsulfanylmethyl)methanimine

C8H9NS — CID 15653912

IUPACN-(phenylsulfanylmethyl)methanimine
SMILESC=NCSc1ccccc1
InChIInChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,1,7H2
InChIKeySASOASPQXJCQMJ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.44
Rot. Bonds3

About N-(phenylsulfanylmethyl)methanimine

N-(phenylsulfanylmethyl)methanimine (PubChem CID 15653912) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is N-(phenylsulfanylmethyl)methanimine.

Molecular Properties

Compound NameN-(phenylsulfanylmethyl)methanimine
PubChem CID15653912
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameN-(phenylsulfanylmethyl)methanimine
SMILESC=NCSc1ccccc1
InChIInChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,1,7H2
InChIKeySASOASPQXJCQMJ-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(phenylsulfanylmethyl)methanimine?
The IUPAC name of N-(phenylsulfanylmethyl)methanimine (CID 15653912) is N-(phenylsulfanylmethyl)methanimine.
What is the SMILES notation for N-(phenylsulfanylmethyl)methanimine?
The canonical SMILES for N-(phenylsulfanylmethyl)methanimine is C=NCSc1ccccc1.
What is the InChIKey of N-(phenylsulfanylmethyl)methanimine?
The InChIKey is SASOASPQXJCQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,1,7H2.
What are the key properties of N-(phenylsulfanylmethyl)methanimine?
N-(phenylsulfanylmethyl)methanimine has a molecular weight of 151.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylsulfanylmethyl)methanimine is sourced from PubChem (CID 15653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).