furan-2-ylmethanethiol

C10H12O2S2 — CID 158949317

IUPACfuran-2-ylmethanethiol
SMILESSCc1ccco1.SCc1ccco1
InChIInChI=1S/2C5H6OS/c2*7-4-5-2-1-3-6-5/h2*1-3,7H,4H2
InChIKeyJLFLIWGIUQDUSQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.42
Rot. Bonds2

About furan-2-ylmethanethiol

furan-2-ylmethanethiol (PubChem CID 158949317) has the molecular formula C10H12O2S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is furan-2-ylmethanethiol.

Molecular Properties

Compound Namefuran-2-ylmethanethiol
PubChem CID158949317
Molecular FormulaC10H12O2S2
Molecular Weight228.34 g/mol
Exact Mass228.03
IUPAC Namefuran-2-ylmethanethiol
SMILESSCc1ccco1.SCc1ccco1
InChIInChI=1S/2C5H6OS/c2*7-4-5-2-1-3-6-5/h2*1-3,7H,4H2
InChIKeyJLFLIWGIUQDUSQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethanethiol;methylsulfinylmethane
CID 174344975
3-(furan-2-yl)propane-1-thiol
CID 12549643
furan-2-ylmethanamine;methane
CID 20976999
furan-2-ylmethoxysilane
CID 130768813
2-(2-deuterioethyl)furan
CID 141162489
2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-(diselanylmethyl)furan
CID 174958831
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
2-(1-deuteriopropyl)furan
CID 141109691
ethane;2-(methoxymethyl)furan
CID 143640700
2-(ethylperoxymethyl)furan
CID 175094388
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanethiol?
The IUPAC name of furan-2-ylmethanethiol (CID 158949317) is furan-2-ylmethanethiol.
What is the SMILES notation for furan-2-ylmethanethiol?
The canonical SMILES for furan-2-ylmethanethiol is SCc1ccco1.SCc1ccco1.
What is the InChIKey of furan-2-ylmethanethiol?
The InChIKey is JLFLIWGIUQDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6OS/c2*7-4-5-2-1-3-6-5/h2*1-3,7H,4H2.
What are the key properties of furan-2-ylmethanethiol?
furan-2-ylmethanethiol has a molecular weight of 228.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanethiol is sourced from PubChem (CID 158949317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).