4-aminofuran-2-thiol

C4H5NOS — CID 10197663

IUPAC4-aminofuran-2-thiol
SMILESNc1coc(S)c1
InChIInChI=1S/C4H5NOS/c5-3-1-4(7)6-2-3/h1-2,7H,5H2
InChIKeyLQSFCLVDYDOPBT-UHFFFAOYSA-N
MW115.16 g/mol
LogP1.15
Rot. Bonds

About 4-aminofuran-2-thiol

4-aminofuran-2-thiol (PubChem CID 10197663) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 4-aminofuran-2-thiol.

Molecular Properties

Compound Name4-aminofuran-2-thiol
PubChem CID10197663
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name4-aminofuran-2-thiol
SMILESNc1coc(S)c1
InChIInChI=1S/C4H5NOS/c5-3-1-4(7)6-2-3/h1-2,7H,5H2
InChIKeyLQSFCLVDYDOPBT-UHFFFAOYSA-N
XLogP1.15
TPSA39.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Furanamine
CID 19962876
Amino-iodofuran
CID 129859895
N-methoxyfuran-3-amine
CID 22088028
N-(furan-3-yl)hydroxylamine
CID 57265999
5-Bromofuran-3-amine
CID 57459839
3-Isocyanofuran
CID 59999728
N-(furan-3-yl)hydroxylamine hydrochloride
CID 86597080
Furan-3-yldiazene
CID 91031891
Furan-3-amine hydrochloride
CID 91756122
2-Methylsulfanylfuran-3-amine
CID 134510998
5-[(4-Aminofuran-2-yl)disulfanyl]furan-3-amine
CID 139909721
4-Nitrofuran-2-thiol
CID 139909795

Frequently Asked Questions

What is the IUPAC name of 4-aminofuran-2-thiol?
The IUPAC name of 4-aminofuran-2-thiol (CID 10197663) is 4-aminofuran-2-thiol.
What is the SMILES notation for 4-aminofuran-2-thiol?
The canonical SMILES for 4-aminofuran-2-thiol is Nc1coc(S)c1.
What is the InChIKey of 4-aminofuran-2-thiol?
The InChIKey is LQSFCLVDYDOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c5-3-1-4(7)6-2-3/h1-2,7H,5H2.
What are the key properties of 4-aminofuran-2-thiol?
4-aminofuran-2-thiol has a molecular weight of 115.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminofuran-2-thiol is sourced from PubChem (CID 10197663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).