(furan-3-ylmethylideneamino)thiourea

C6H7N3OS — CID 71406800

IUPAC(furan-3-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1ccoc1
InChIInChI=1S/C6H7N3OS/c7-6(11)9-8-3-5-1-2-10-4-5/h1-4H,(H3,7,9,11)
InChIKeyRTJXLNJDADTMRV-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.45
Rot. Bonds2

About (furan-3-ylmethylideneamino)thiourea

(furan-3-ylmethylideneamino)thiourea (PubChem CID 71406800) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is (furan-3-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name(furan-3-ylmethylideneamino)thiourea
PubChem CID71406800
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name(furan-3-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1ccoc1
InChIInChI=1S/C6H7N3OS/c7-6(11)9-8-3-5-1-2-10-4-5/h1-4H,(H3,7,9,11)
InChIKeyRTJXLNJDADTMRV-UHFFFAOYSA-N
XLogP0.45
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(4-formylphenyl)methylideneamino]thiourea
CID 139086855
(pyridin-1-ium-4-ylmethylideneamino)thiourea
CID 135545111
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
[(3-bromo-4-iodophenyl)methylideneamino]thiourea
CID 168536440
[(4-ethylphenyl)methylideneamino]thiourea
CID 724608
[(E)-(4-phenylphenyl)methylideneamino]thiourea;hydrate
CID 139078865
[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 6474556
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
[(E)-(3-cyanophenyl)methylideneamino]thiourea
CID 57461900

Frequently Asked Questions

What is the IUPAC name of (furan-3-ylmethylideneamino)thiourea?
The IUPAC name of (furan-3-ylmethylideneamino)thiourea (CID 71406800) is (furan-3-ylmethylideneamino)thiourea.
What is the SMILES notation for (furan-3-ylmethylideneamino)thiourea?
The canonical SMILES for (furan-3-ylmethylideneamino)thiourea is NC(=S)NN=Cc1ccoc1.
What is the InChIKey of (furan-3-ylmethylideneamino)thiourea?
The InChIKey is RTJXLNJDADTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-6(11)9-8-3-5-1-2-10-4-5/h1-4H,(H3,7,9,11).
What are the key properties of (furan-3-ylmethylideneamino)thiourea?
(furan-3-ylmethylideneamino)thiourea has a molecular weight of 169.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (furan-3-ylmethylideneamino)thiourea is sourced from PubChem (CID 71406800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).