furan-2,5-dicarbothioamide

C6H6N2OS2 — CID 727560

IUPACfuran-2,5-dicarbothioamide
SMILESNC(=S)c1ccc(C(N)=S)o1
InChIInChI=1S/C6H6N2OS2/c7-5(10)3-1-2-4(9-3)6(8)11/h1-2H,(H2,7,10)(H2,8,11)
InChIKeyBAQDCFXUSBFKDB-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.55
Rot. Bonds2

About furan-2,5-dicarbothioamide

furan-2,5-dicarbothioamide (PubChem CID 727560) has the molecular formula C6H6N2OS2 and a molecular weight of 186.26 g/mol. Its IUPAC name is furan-2,5-dicarbothioamide.

Molecular Properties

Compound Namefuran-2,5-dicarbothioamide
PubChem CID727560
Molecular FormulaC6H6N2OS2
Molecular Weight186.26 g/mol
Exact Mass185.99
IUPAC Namefuran-2,5-dicarbothioamide
SMILESNC(=S)c1ccc(C(N)=S)o1
InChIInChI=1S/C6H6N2OS2/c7-5(10)3-1-2-4(9-3)6(8)11/h1-2H,(H2,7,10)(H2,8,11)
InChIKeyBAQDCFXUSBFKDB-UHFFFAOYSA-N
XLogP0.55
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2,5-dicarbothioamide?
The IUPAC name of furan-2,5-dicarbothioamide (CID 727560) is furan-2,5-dicarbothioamide.
What is the SMILES notation for furan-2,5-dicarbothioamide?
The canonical SMILES for furan-2,5-dicarbothioamide is NC(=S)c1ccc(C(N)=S)o1.
What is the InChIKey of furan-2,5-dicarbothioamide?
The InChIKey is BAQDCFXUSBFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS2/c7-5(10)3-1-2-4(9-3)6(8)11/h1-2H,(H2,7,10)(H2,8,11).
What are the key properties of furan-2,5-dicarbothioamide?
furan-2,5-dicarbothioamide has a molecular weight of 186.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dicarbothioamide is sourced from PubChem (CID 727560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).