furan-2-ylmethanethiol;methylsulfinylmethane

C7H12O2S2 — CID 174344975

IUPACfuran-2-ylmethanethiol;methylsulfinylmethane
SMILESCS(C)=O.SCc1ccco1
InChIInChI=1S/C5H6OS.C2H6OS/c7-4-5-2-1-3-6-5;1-4(2)3/h1-3,7H,4H2;1-2H3
InChIKeyAZKPBCTVTWEVJB-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.70
Rot. Bonds1

About furan-2-ylmethanethiol;methylsulfinylmethane

furan-2-ylmethanethiol;methylsulfinylmethane (PubChem CID 174344975) has the molecular formula C7H12O2S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is furan-2-ylmethanethiol;methylsulfinylmethane.

Molecular Properties

Compound Namefuran-2-ylmethanethiol;methylsulfinylmethane
PubChem CID174344975
Molecular FormulaC7H12O2S2
Molecular Weight192.31 g/mol
Exact Mass192.03
IUPAC Namefuran-2-ylmethanethiol;methylsulfinylmethane
SMILESCS(C)=O.SCc1ccco1
InChIInChI=1S/C5H6OS.C2H6OS/c7-4-5-2-1-3-6-5;1-4(2)3/h1-3,7H,4H2;1-2H3
InChIKeyAZKPBCTVTWEVJB-UHFFFAOYSA-N
XLogP1.70
TPSA30.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethanethiol
CID 158949317
2-[[(S)-methylsulfinyl]methyl]furan
CID 119098303
2-[[methyl(sulfinato)amino]methyl]furan
CID 57032759
3-(furan-2-yl)propane-1-thiol
CID 12549643
2-(furan-2-ylmethylsulfinylsulfanylmethyl)furan
CID 71576322
acetaldehyde;2-(chloromethyl)furan
CID 174376101
2-(2-deuterioethyl)furan
CID 141162489
2-(ethylperoxymethyl)furan
CID 175094388
ethane;2-(methoxymethyl)furan
CID 143640700
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-(1-deuteriopropyl)furan
CID 141109691
furan-2-ylmethanamine;methane
CID 20976999

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanethiol;methylsulfinylmethane?
The IUPAC name of furan-2-ylmethanethiol;methylsulfinylmethane (CID 174344975) is furan-2-ylmethanethiol;methylsulfinylmethane.
What is the SMILES notation for furan-2-ylmethanethiol;methylsulfinylmethane?
The canonical SMILES for furan-2-ylmethanethiol;methylsulfinylmethane is CS(C)=O.SCc1ccco1.
What is the InChIKey of furan-2-ylmethanethiol;methylsulfinylmethane?
The InChIKey is AZKPBCTVTWEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.C2H6OS/c7-4-5-2-1-3-6-5;1-4(2)3/h1-3,7H,4H2;1-2H3.
What are the key properties of furan-2-ylmethanethiol;methylsulfinylmethane?
furan-2-ylmethanethiol;methylsulfinylmethane has a molecular weight of 192.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanethiol;methylsulfinylmethane is sourced from PubChem (CID 174344975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).