S-pyridin-2-yl furan-2-carbothioate

C10H7NO2S — CID 782585

IUPACS-pyridin-2-yl furan-2-carbothioate
SMILESO=C(Sc1ccccn1)c1ccco1
InChIInChI=1S/C10H7NO2S/c12-10(8-4-3-7-13-8)14-9-5-1-2-6-11-9/h1-7H
InChIKeyPFVIBJCHVPWZCN-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.61
Rot. Bonds2

About S-pyridin-2-yl furan-2-carbothioate

S-pyridin-2-yl furan-2-carbothioate (PubChem CID 782585) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is S-pyridin-2-yl furan-2-carbothioate.

Molecular Properties

Compound NameS-pyridin-2-yl furan-2-carbothioate
PubChem CID782585
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC NameS-pyridin-2-yl furan-2-carbothioate
SMILESO=C(Sc1ccccn1)c1ccco1
InChIInChI=1S/C10H7NO2S/c12-10(8-4-3-7-13-8)14-9-5-1-2-6-11-9/h1-7H
InChIKeyPFVIBJCHVPWZCN-UHFFFAOYSA-N
XLogP2.61
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-pyridin-2-yl furan-2-carbothioate?
The IUPAC name of S-pyridin-2-yl furan-2-carbothioate (CID 782585) is S-pyridin-2-yl furan-2-carbothioate.
What is the SMILES notation for S-pyridin-2-yl furan-2-carbothioate?
The canonical SMILES for S-pyridin-2-yl furan-2-carbothioate is O=C(Sc1ccccn1)c1ccco1.
What is the InChIKey of S-pyridin-2-yl furan-2-carbothioate?
The InChIKey is PFVIBJCHVPWZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(8-4-3-7-13-8)14-9-5-1-2-6-11-9/h1-7H.
What are the key properties of S-pyridin-2-yl furan-2-carbothioate?
S-pyridin-2-yl furan-2-carbothioate has a molecular weight of 205.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-pyridin-2-yl furan-2-carbothioate is sourced from PubChem (CID 782585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).