methyl (2E)-N-hydroxyfuran-2-carboximidothioate

C6H7NO2S — CID 119098066

IUPACmethyl (2E)-N-hydroxyfuran-2-carboximidothioate
SMILESCS/C(=N/O)c1ccco1
InChIInChI=1S/C6H7NO2S/c1-10-6(7-8)5-3-2-4-9-5/h2-4,8H,1H3/b7-6+
InChIKeyJDTQGMKOGDEXIA-VOTSOKGWSA-N
MW157.19 g/mol
LogP1.78
Rot. Bonds1

About methyl (2E)-N-hydroxyfuran-2-carboximidothioate

methyl (2E)-N-hydroxyfuran-2-carboximidothioate (PubChem CID 119098066) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl (2E)-N-hydroxyfuran-2-carboximidothioate.

Molecular Properties

Compound Namemethyl (2E)-N-hydroxyfuran-2-carboximidothioate
PubChem CID119098066
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl (2E)-N-hydroxyfuran-2-carboximidothioate
SMILESCS/C(=N/O)c1ccco1
InChIInChI=1S/C6H7NO2S/c1-10-6(7-8)5-3-2-4-9-5/h2-4,8H,1H3/b7-6+
InChIKeyJDTQGMKOGDEXIA-VOTSOKGWSA-N
XLogP1.78
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-hydroxyfuran-2-carboximidothioate
CID 131873115
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
CID 10776832
(NZ)-N-[(2R)-1-(furan-2-yl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 27444187
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584
(1S,2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanol
CID 98567052
furan-2-carboxylic acid;methanol
CID 70611195

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-N-hydroxyfuran-2-carboximidothioate?
The IUPAC name of methyl (2E)-N-hydroxyfuran-2-carboximidothioate (CID 119098066) is methyl (2E)-N-hydroxyfuran-2-carboximidothioate.
What is the SMILES notation for methyl (2E)-N-hydroxyfuran-2-carboximidothioate?
The canonical SMILES for methyl (2E)-N-hydroxyfuran-2-carboximidothioate is CS/C(=N/O)c1ccco1.
What is the InChIKey of methyl (2E)-N-hydroxyfuran-2-carboximidothioate?
The InChIKey is JDTQGMKOGDEXIA-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-10-6(7-8)5-3-2-4-9-5/h2-4,8H,1H3/b7-6+.
What are the key properties of methyl (2E)-N-hydroxyfuran-2-carboximidothioate?
methyl (2E)-N-hydroxyfuran-2-carboximidothioate has a molecular weight of 157.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-N-hydroxyfuran-2-carboximidothioate is sourced from PubChem (CID 119098066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).