2-(methylsulfanylmethyl)furan

C6H8OS — CID 518937

IUPAC2-(methylsulfanylmethyl)furan
SMILESCSCc1ccco1
InChIInChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKeySKSFHXVDHVKIBN-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.14
Rot. Bonds2

About 2-(methylsulfanylmethyl)furan

2-(methylsulfanylmethyl)furan (PubChem CID 518937) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)furan
PubChem CID518937
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-(methylsulfanylmethyl)furan
SMILESCSCc1ccco1
InChIInChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKeySKSFHXVDHVKIBN-UHFFFAOYSA-N
XLogP2.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
Methyl 2-methyl-3-furyl disulfide
CID 47649
2-Furanmethanethiol
CID 7363
2-Ethylfuran
CID 18554
2-Methyl-3-furanthiol
CID 34286
Furfuryl isopropyl sulfide
CID 61282
2,2'-(Dithiodimethylene)difuran
CID 20499
Furfuryl thioacetate
CID 61660
2-Propylfuran
CID 77907
Difurfuryl sulfide
CID 61659
2-Methyl-5-(methylthio)furan
CID 61657

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)furan?
The IUPAC name of 2-(methylsulfanylmethyl)furan (CID 518937) is 2-(methylsulfanylmethyl)furan.
What is the SMILES notation for 2-(methylsulfanylmethyl)furan?
The canonical SMILES for 2-(methylsulfanylmethyl)furan is CSCc1ccco1.
What is the InChIKey of 2-(methylsulfanylmethyl)furan?
The InChIKey is SKSFHXVDHVKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)furan?
2-(methylsulfanylmethyl)furan has a molecular weight of 128.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)furan is sourced from PubChem (CID 518937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).