2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran

C10H10O2S — CID 174587149

IUPAC2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran
SMILESCc1cc(Sc2coc(C)c2)co1
InChIInChI=1S/C10H10O2S/c1-7-3-9(5-11-7)13-10-4-8(2)12-6-10/h3-6H,1-2H3
InChIKeyIUFCDAIPOMFBIO-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.64
Rot. Bonds2

About 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran

2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran (PubChem CID 174587149) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran.

Molecular Properties

Compound Name2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran
PubChem CID174587149
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran
SMILESCc1cc(Sc2coc(C)c2)co1
InChIInChI=1S/C10H10O2S/c1-7-3-9(5-11-7)13-10-4-8(2)12-6-10/h3-6H,1-2H3
InChIKeyIUFCDAIPOMFBIO-UHFFFAOYSA-N
XLogP3.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-methyl-3-furyl disulfide
CID 47649
2-Methyl-3-furanthiol
CID 34286
Bis(2-methyl-3-furyl)disulfide
CID 526624
Furfuryl isopropyl sulfide
CID 61282
2,2'-(Dithiodimethylene)difuran
CID 20499
Furfuryl thioacetate
CID 61660
Difurfuryl sulfide
CID 61659
2-Methyl-5-(methylthio)furan
CID 61657
Furfuryl methyl sulfide
CID 518937
2-Methyl-3-(methylthio)furan
CID 526618
3-[(2-Methyl-3-furyl)thio]-4-heptanone
CID 43598
Propyl 2-methyl-3-furyl disulfide
CID 43579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran?
The IUPAC name of 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran (CID 174587149) is 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran.
What is the SMILES notation for 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran?
The canonical SMILES for 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran is Cc1cc(Sc2coc(C)c2)co1.
What is the InChIKey of 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran?
The InChIKey is IUFCDAIPOMFBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-7-3-9(5-11-7)13-10-4-8(2)12-6-10/h3-6H,1-2H3.
What are the key properties of 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran?
2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran has a molecular weight of 194.25 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran is sourced from PubChem (CID 174587149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).