furan-2-yl-(2-methylfuran-3-yl)methanedithiol

C10H10O2S2 — CID 91988031

IUPACfuran-2-yl-(2-methylfuran-3-yl)methanedithiol
SMILESCc1occc1C(S)(S)c1ccco1
InChIInChI=1S/C10H10O2S2/c1-7-8(4-6-11-7)10(13,14)9-3-2-5-12-9/h2-6,13-14H,1H3
InChIKeyCZYMZVHUOMKOMB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.24
Rot. Bonds2

About furan-2-yl-(2-methylfuran-3-yl)methanedithiol

furan-2-yl-(2-methylfuran-3-yl)methanedithiol (PubChem CID 91988031) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is furan-2-yl-(2-methylfuran-3-yl)methanedithiol.

Molecular Properties

Compound Namefuran-2-yl-(2-methylfuran-3-yl)methanedithiol
PubChem CID91988031
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Namefuran-2-yl-(2-methylfuran-3-yl)methanedithiol
SMILESCc1occc1C(S)(S)c1ccco1
InChIInChI=1S/C10H10O2S2/c1-7-8(4-6-11-7)10(13,14)9-3-2-5-12-9/h2-6,13-14H,1H3
InChIKeyCZYMZVHUOMKOMB-UHFFFAOYSA-N
XLogP3.24
TPSA26.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methylfuran-3-yl)methanedithiol?
The IUPAC name of furan-2-yl-(2-methylfuran-3-yl)methanedithiol (CID 91988031) is furan-2-yl-(2-methylfuran-3-yl)methanedithiol.
What is the SMILES notation for furan-2-yl-(2-methylfuran-3-yl)methanedithiol?
The canonical SMILES for furan-2-yl-(2-methylfuran-3-yl)methanedithiol is Cc1occc1C(S)(S)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methylfuran-3-yl)methanedithiol?
The InChIKey is CZYMZVHUOMKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-7-8(4-6-11-7)10(13,14)9-3-2-5-12-9/h2-6,13-14H,1H3.
What are the key properties of furan-2-yl-(2-methylfuran-3-yl)methanedithiol?
furan-2-yl-(2-methylfuran-3-yl)methanedithiol has a molecular weight of 226.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methylfuran-3-yl)methanedithiol is sourced from PubChem (CID 91988031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).