2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

C10H10O2S2 — CID 526624

IUPAC2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
SMILESCc1occc1SSc1ccoc1C
InChIInChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
InChIKeyOHDFENKFSKIFBJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.29
Rot. Bonds3

About 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan (PubChem CID 526624) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan.

Molecular Properties

Compound Name2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
PubChem CID526624
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
SMILESCc1occc1SSc1ccoc1C
InChIInChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
InChIKeyOHDFENKFSKIFBJ-UHFFFAOYSA-N
XLogP4.29
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
CID 175870527
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
(2-methylfuran-3-yl)sulfanyl acetate
CID 174510836
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
(1S)-1-[4-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780668
3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
CID 107781103
2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
CID 107784097
2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 164655221
3-(2-methylfuran-3-yl)sulfanylpyrazine-2-carbonitrile
CID 86785837
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
2-methyl-4-(2-methylfuran-3-yl)sulfanylaniline
CID 107779582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan?
The IUPAC name of 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan (CID 526624) is 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan.
What is the SMILES notation for 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan?
The canonical SMILES for 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan is Cc1occc1SSc1ccoc1C.
What is the InChIKey of 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan?
The InChIKey is OHDFENKFSKIFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3.
What are the key properties of 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan?
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan has a molecular weight of 226.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan is sourced from PubChem (CID 526624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).