methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate

C12H10N2O4S — CID 51032933

IUPACmethyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
SMILESCS/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4S/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyTWZZEBZFNFTKQU-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.16
Rot. Bonds2

About methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate

methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate (PubChem CID 51032933) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
PubChem CID51032933
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Namemethyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
SMILESCS/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4S/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyTWZZEBZFNFTKQU-UHFFFAOYSA-N
XLogP2.16
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate?
The IUPAC name of methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate (CID 51032933) is methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate.
What is the SMILES notation for methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate?
The canonical SMILES for methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate is CS/C(=N\C(=O)c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate?
The InChIKey is TWZZEBZFNFTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-19-12(13-10(15)8-4-2-6-17-8)14-11(16)9-5-3-7-18-9/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate?
methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate has a molecular weight of 278.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate is sourced from PubChem (CID 51032933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).