1,1-bis(methylsulfanyl)-N-phenylmethanimine

C9H11NS2 — CID 519605

IUPAC1,1-bis(methylsulfanyl)-N-phenylmethanimine
SMILESCSC(=Nc1ccccc1)SC
InChIInChI=1S/C9H11NS2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyLTPWYSQGZKSLIW-UHFFFAOYSA-N
MW197.33 g/mol
LogP3.40
Rot. Bonds1

About 1,1-bis(methylsulfanyl)-N-phenylmethanimine

1,1-bis(methylsulfanyl)-N-phenylmethanimine (PubChem CID 519605) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1,1-bis(methylsulfanyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1,1-bis(methylsulfanyl)-N-phenylmethanimine
PubChem CID519605
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name1,1-bis(methylsulfanyl)-N-phenylmethanimine
SMILESCSC(=Nc1ccccc1)SC
InChIInChI=1S/C9H11NS2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyLTPWYSQGZKSLIW-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.40
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'}

Analyze 1,1-bis(methylsulfanyl)-N-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methylsulfanyl)-N-phenylmethanimine?
The IUPAC name of 1,1-bis(methylsulfanyl)-N-phenylmethanimine (CID 519605) is 1,1-bis(methylsulfanyl)-N-phenylmethanimine.
What is the SMILES notation for 1,1-bis(methylsulfanyl)-N-phenylmethanimine?
The canonical SMILES for 1,1-bis(methylsulfanyl)-N-phenylmethanimine is CSC(=Nc1ccccc1)SC.
What is the InChIKey of 1,1-bis(methylsulfanyl)-N-phenylmethanimine?
The InChIKey is LTPWYSQGZKSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-bis(methylsulfanyl)-N-phenylmethanimine?
1,1-bis(methylsulfanyl)-N-phenylmethanimine has a molecular weight of 197.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methylsulfanyl)-N-phenylmethanimine is sourced from PubChem (CID 519605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).