thiophen-3-ylidenecyanamide

C5H4N2S — CID 152781252

IUPACthiophen-3-ylidenecyanamide
SMILESN#C/N=C1\C=CSC1
InChIInChI=1S/C5H4N2S/c6-4-7-5-1-2-8-3-5/h1-2H,3H2/b7-5+
InChIKeyFDOCHEJICJFNLE-FNORWQNLSA-N
MW124.17 g/mol
LogP1.17
Rot. Bonds

About thiophen-3-ylidenecyanamide

thiophen-3-ylidenecyanamide (PubChem CID 152781252) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is thiophen-3-ylidenecyanamide.

Molecular Properties

Compound Namethiophen-3-ylidenecyanamide
PubChem CID152781252
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Namethiophen-3-ylidenecyanamide
SMILESN#C/N=C1\C=CSC1
InChIInChI=1S/C5H4N2S/c6-4-7-5-1-2-8-3-5/h1-2H,3H2/b7-5+
InChIKeyFDOCHEJICJFNLE-FNORWQNLSA-N
XLogP1.17
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylidenecyanamide?
The IUPAC name of thiophen-3-ylidenecyanamide (CID 152781252) is thiophen-3-ylidenecyanamide.
What is the SMILES notation for thiophen-3-ylidenecyanamide?
The canonical SMILES for thiophen-3-ylidenecyanamide is N#C/N=C1\C=CSC1.
What is the InChIKey of thiophen-3-ylidenecyanamide?
The InChIKey is FDOCHEJICJFNLE-FNORWQNLSA-N. The full InChI is InChI=1S/C5H4N2S/c6-4-7-5-1-2-8-3-5/h1-2H,3H2/b7-5+.
What are the key properties of thiophen-3-ylidenecyanamide?
thiophen-3-ylidenecyanamide has a molecular weight of 124.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylidenecyanamide is sourced from PubChem (CID 152781252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).