[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea

C10H10FN3O3S — CID 6153027

IUPAC[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea
SMILESNC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C10H10FN3O3S/c11-6-1-2-9-7(5-6)8(13-14-10(12)15)3-4-18(9,16)17/h1-2,5H,3-4H2,(H3,12,14,15)/b13-8-
InChIKeyTYDAEZBOGSMPIC-JYRVWZFOSA-N
MW271.27 g/mol
LogP0.38
Rot. Bonds1

About [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea

[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea (PubChem CID 6153027) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea
PubChem CID6153027
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea
SMILESNC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C10H10FN3O3S/c11-6-1-2-9-7(5-6)8(13-14-10(12)15)3-4-18(9,16)17/h1-2,5H,3-4H2,(H3,12,14,15)/b13-8-
InChIKeyTYDAEZBOGSMPIC-JYRVWZFOSA-N
XLogP0.38
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea?
The IUPAC name of [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea (CID 6153027) is [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea.
What is the SMILES notation for [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea?
The canonical SMILES for [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea is NC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea?
The InChIKey is TYDAEZBOGSMPIC-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c11-6-1-2-9-7(5-6)8(13-14-10(12)15)3-4-18(9,16)17/h1-2,5H,3-4H2,(H3,12,14,15)/b13-8-.
What are the key properties of [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea?
[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea has a molecular weight of 271.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]urea is sourced from PubChem (CID 6153027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).