aniline;thiophene

C10H11NS — CID 69418942

IUPACaniline;thiophene
SMILESNc1ccccc1.c1ccsc1
InChIInChI=1S/C6H7N.C4H4S/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,7H2;1-4H
InChIKeyFMYPDZMLNBBLGX-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.02
Rot. Bonds

About aniline;thiophene

aniline;thiophene (PubChem CID 69418942) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is aniline;thiophene.

Molecular Properties

Compound Nameaniline;thiophene
PubChem CID69418942
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Nameaniline;thiophene
SMILESNc1ccccc1.c1ccsc1
InChIInChI=1S/C6H7N.C4H4S/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,7H2;1-4H
InChIKeyFMYPDZMLNBBLGX-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;thiophene?
The IUPAC name of aniline;thiophene (CID 69418942) is aniline;thiophene.
What is the SMILES notation for aniline;thiophene?
The canonical SMILES for aniline;thiophene is Nc1ccccc1.c1ccsc1.
What is the InChIKey of aniline;thiophene?
The InChIKey is FMYPDZMLNBBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H4S/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,7H2;1-4H.
What are the key properties of aniline;thiophene?
aniline;thiophene has a molecular weight of 177.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;thiophene is sourced from PubChem (CID 69418942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).