5-(methoxymethyl)furan-2-carbothioamide

C7H9NO2S — CID 127005352

IUPAC5-(methoxymethyl)furan-2-carbothioamide
SMILESCOCc1ccc(C(N)=S)o1
InChIInChI=1S/C7H9NO2S/c1-9-4-5-2-3-6(10-5)7(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyNCUCBWALVVAUGL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.06
Rot. Bonds3

About 5-(methoxymethyl)furan-2-carbothioamide

5-(methoxymethyl)furan-2-carbothioamide (PubChem CID 127005352) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-(methoxymethyl)furan-2-carbothioamide.

Molecular Properties

Compound Name5-(methoxymethyl)furan-2-carbothioamide
PubChem CID127005352
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name5-(methoxymethyl)furan-2-carbothioamide
SMILESCOCc1ccc(C(N)=S)o1
InChIInChI=1S/C7H9NO2S/c1-9-4-5-2-3-6(10-5)7(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyNCUCBWALVVAUGL-UHFFFAOYSA-N
XLogP1.06
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)furan-2-carboximidamide
CID 130995486
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 119569164
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461687
(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107123757

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)furan-2-carbothioamide?
The IUPAC name of 5-(methoxymethyl)furan-2-carbothioamide (CID 127005352) is 5-(methoxymethyl)furan-2-carbothioamide.
What is the SMILES notation for 5-(methoxymethyl)furan-2-carbothioamide?
The canonical SMILES for 5-(methoxymethyl)furan-2-carbothioamide is COCc1ccc(C(N)=S)o1.
What is the InChIKey of 5-(methoxymethyl)furan-2-carbothioamide?
The InChIKey is NCUCBWALVVAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-9-4-5-2-3-6(10-5)7(8)11/h2-3H,4H2,1H3,(H2,8,11).
What are the key properties of 5-(methoxymethyl)furan-2-carbothioamide?
5-(methoxymethyl)furan-2-carbothioamide has a molecular weight of 171.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)furan-2-carbothioamide is sourced from PubChem (CID 127005352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).