N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine

C10H13NS2 — CID 12853460

IUPACN-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=Nc1ccc(C)cc1)SC
InChIInChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)11-10(12-2)13-3/h4-7H,1-3H3
InChIKeyQMAHYQZTFAFGSW-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.71
Rot. Bonds1

About N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine

N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine (PubChem CID 12853460) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine
PubChem CID12853460
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC NameN-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=Nc1ccc(C)cc1)SC
InChIInChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)11-10(12-2)13-3/h4-7H,1-3H3
InChIKeyQMAHYQZTFAFGSW-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine?
The IUPAC name of N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine (CID 12853460) is N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine?
The canonical SMILES for N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine is CSC(=Nc1ccc(C)cc1)SC.
What is the InChIKey of N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine?
The InChIKey is QMAHYQZTFAFGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)11-10(12-2)13-3/h4-7H,1-3H3.
What are the key properties of N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine?
N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine has a molecular weight of 211.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,1-bis(methylsulfanyl)methanimine is sourced from PubChem (CID 12853460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).