2-methyl-5-[(methyldisulfanyl)methyl]furan

C7H10OS2 — CID 45108274

IUPAC2-methyl-5-[(methyldisulfanyl)methyl]furan
SMILESCSSCc1ccc(C)o1
InChIInChI=1S/C7H10OS2/c1-6-3-4-7(8-6)5-10-9-2/h3-4H,5H2,1-2H3
InChIKeyNVRIWCPYIZINPN-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-5-[(methyldisulfanyl)methyl]furan

2-methyl-5-[(methyldisulfanyl)methyl]furan (PubChem CID 45108274) has the molecular formula C7H10OS2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-methyl-5-[(methyldisulfanyl)methyl]furan.

Molecular Properties

Compound Name2-methyl-5-[(methyldisulfanyl)methyl]furan
PubChem CID45108274
Molecular FormulaC7H10OS2
Molecular Weight174.29 g/mol
Exact Mass174.02
IUPAC Name2-methyl-5-[(methyldisulfanyl)methyl]furan
SMILESCSSCc1ccc(C)o1
InChIInChI=1S/C7H10OS2/c1-6-3-4-7(8-6)5-10-9-2/h3-4H,5H2,1-2H3
InChIKeyNVRIWCPYIZINPN-UHFFFAOYSA-N
XLogP3.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(methyldisulfanyl)methyl]furan?
The IUPAC name of 2-methyl-5-[(methyldisulfanyl)methyl]furan (CID 45108274) is 2-methyl-5-[(methyldisulfanyl)methyl]furan.
What is the SMILES notation for 2-methyl-5-[(methyldisulfanyl)methyl]furan?
The canonical SMILES for 2-methyl-5-[(methyldisulfanyl)methyl]furan is CSSCc1ccc(C)o1.
What is the InChIKey of 2-methyl-5-[(methyldisulfanyl)methyl]furan?
The InChIKey is NVRIWCPYIZINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS2/c1-6-3-4-7(8-6)5-10-9-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-5-[(methyldisulfanyl)methyl]furan?
2-methyl-5-[(methyldisulfanyl)methyl]furan has a molecular weight of 174.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(methyldisulfanyl)methyl]furan is sourced from PubChem (CID 45108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).