N,5,5-trimethylthiophen-2-imine

C7H11NS — CID 71362584

IUPACN,5,5-trimethylthiophen-2-imine
SMILESC/N=C1\C=CC(C)(C)S1
InChIInChI=1S/C7H11NS/c1-7(2)5-4-6(8-3)9-7/h4-5H,1-3H3/b8-6+
InChIKeyAGSGBMMZRPHBTI-SOFGYWHQSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds

About N,5,5-trimethylthiophen-2-imine

N,5,5-trimethylthiophen-2-imine (PubChem CID 71362584) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N,5,5-trimethylthiophen-2-imine.

Molecular Properties

Compound NameN,5,5-trimethylthiophen-2-imine
PubChem CID71362584
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN,5,5-trimethylthiophen-2-imine
SMILESC/N=C1\C=CC(C)(C)S1
InChIInChI=1S/C7H11NS/c1-7(2)5-4-6(8-3)9-7/h4-5H,1-3H3/b8-6+
InChIKeyAGSGBMMZRPHBTI-SOFGYWHQSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.10
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,5,5-trimethylthiophen-2-imine?
The IUPAC name of N,5,5-trimethylthiophen-2-imine (CID 71362584) is N,5,5-trimethylthiophen-2-imine.
What is the SMILES notation for N,5,5-trimethylthiophen-2-imine?
The canonical SMILES for N,5,5-trimethylthiophen-2-imine is C/N=C1\C=CC(C)(C)S1.
What is the InChIKey of N,5,5-trimethylthiophen-2-imine?
The InChIKey is AGSGBMMZRPHBTI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NS/c1-7(2)5-4-6(8-3)9-7/h4-5H,1-3H3/b8-6+.
What are the key properties of N,5,5-trimethylthiophen-2-imine?
N,5,5-trimethylthiophen-2-imine has a molecular weight of 141.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethylthiophen-2-imine is sourced from PubChem (CID 71362584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).