2-aminoethanethiol;furan-2,5-dione

C6H9NO3S — CID 174187998

IUPAC2-aminoethanethiol;furan-2,5-dione
SMILESNCCS.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C2H7NS/c5-3-1-2-4(6)7-3;3-1-2-4/h1-2H;4H,1-3H2
InChIKeyLUAZPSRTZLAPTF-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.50
Rot. Bonds1

About 2-aminoethanethiol;furan-2,5-dione

2-aminoethanethiol;furan-2,5-dione (PubChem CID 174187998) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-aminoethanethiol;furan-2,5-dione.

Molecular Properties

Compound Name2-aminoethanethiol;furan-2,5-dione
PubChem CID174187998
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-aminoethanethiol;furan-2,5-dione
SMILESNCCS.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C2H7NS/c5-3-1-2-4(6)7-3;3-1-2-4/h1-2H;4H,1-3H2
InChIKeyLUAZPSRTZLAPTF-UHFFFAOYSA-N
XLogP-0.50
TPSA69.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

furan-2,5-dione;hexadecan-1-amine
CID 118418755
disodium;furan-2,5-dione;hydride
CID 174894617
ethane-1,2-diol;furan-2,5-dione;octadecan-1-amine
CID 174655132
(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
CID 151006147
furan-2,5-dione;propan-2-one
CID 18405815
ethenylsilane;furan-2,5-dione
CID 160806423
furan-2,5-dione;tetrakis(prop-1-ene)
CID 90659509
bis(2-aminoethanethiol);nickel(2+)
CID 19773887
furan-2,5-dione;hexa-2,4-diene
CID 175511286
furan-2,5-dione;1-methoxy-2-(2-methoxyethoxy)ethane
CID 175402804
CID 139238708
CID 139238708
furan-2,5-dione;2,2,2-trichloroacetaldehyde
CID 159081208

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;furan-2,5-dione?
The IUPAC name of 2-aminoethanethiol;furan-2,5-dione (CID 174187998) is 2-aminoethanethiol;furan-2,5-dione.
What is the SMILES notation for 2-aminoethanethiol;furan-2,5-dione?
The canonical SMILES for 2-aminoethanethiol;furan-2,5-dione is NCCS.O=C1C=CC(=O)O1.
What is the InChIKey of 2-aminoethanethiol;furan-2,5-dione?
The InChIKey is LUAZPSRTZLAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.C2H7NS/c5-3-1-2-4(6)7-3;3-1-2-4/h1-2H;4H,1-3H2.
What are the key properties of 2-aminoethanethiol;furan-2,5-dione?
2-aminoethanethiol;furan-2,5-dione has a molecular weight of 175.21 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;furan-2,5-dione is sourced from PubChem (CID 174187998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).