N-propan-2-ylthiophen-3-imine

C7H11NS — CID 19384798

IUPACN-propan-2-ylthiophen-3-imine
SMILESCC(C)/N=C1\C=CSC1
InChIInChI=1S/C7H11NS/c1-6(2)8-7-3-4-9-5-7/h3-4,6H,5H2,1-2H3/b8-7+
InChIKeyJJFVCVVEMFPGIO-BQYQJAHWSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds1

About N-propan-2-ylthiophen-3-imine

N-propan-2-ylthiophen-3-imine (PubChem CID 19384798) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-propan-2-ylthiophen-3-imine.

Molecular Properties

Compound NameN-propan-2-ylthiophen-3-imine
PubChem CID19384798
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-propan-2-ylthiophen-3-imine
SMILESCC(C)/N=C1\C=CSC1
InChIInChI=1S/C7H11NS/c1-6(2)8-7-3-4-9-5-7/h3-4,6H,5H2,1-2H3/b8-7+
InChIKeyJJFVCVVEMFPGIO-BQYQJAHWSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-propan-2-ylthiophen-3-imine?
The IUPAC name of N-propan-2-ylthiophen-3-imine (CID 19384798) is N-propan-2-ylthiophen-3-imine.
What is the SMILES notation for N-propan-2-ylthiophen-3-imine?
The canonical SMILES for N-propan-2-ylthiophen-3-imine is CC(C)/N=C1\C=CSC1.
What is the InChIKey of N-propan-2-ylthiophen-3-imine?
The InChIKey is JJFVCVVEMFPGIO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(2)8-7-3-4-9-5-7/h3-4,6H,5H2,1-2H3/b8-7+.
What are the key properties of N-propan-2-ylthiophen-3-imine?
N-propan-2-ylthiophen-3-imine has a molecular weight of 141.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylthiophen-3-imine is sourced from PubChem (CID 19384798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).