2-(3-methylsulfonylpropylsulfanylmethyl)furan

C9H14O3S2 — CID 71930272

IUPAC2-(3-methylsulfonylpropylsulfanylmethyl)furan
SMILESCS(=O)(=O)CCCSCc1ccco1
InChIInChI=1S/C9H14O3S2/c1-14(10,11)7-3-6-13-8-9-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3
InChIKeyJJFMCOIQZCAXCZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds6

About 2-(3-methylsulfonylpropylsulfanylmethyl)furan

2-(3-methylsulfonylpropylsulfanylmethyl)furan (PubChem CID 71930272) has the molecular formula C9H14O3S2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(3-methylsulfonylpropylsulfanylmethyl)furan
PubChem CID71930272
Molecular FormulaC9H14O3S2
Molecular Weight234.34 g/mol
Exact Mass234.04
IUPAC Name2-(3-methylsulfonylpropylsulfanylmethyl)furan
SMILESCS(=O)(=O)CCCSCc1ccco1
InChIInChI=1S/C9H14O3S2/c1-14(10,11)7-3-6-13-8-9-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3
InChIKeyJJFMCOIQZCAXCZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxypropylsulfanylmethyl)furan
CID 78846523
4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
N-(3-amino-2-methylphenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979227
5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one
CID 43260375
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
CID 24988907
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217869
1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 8769278

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropylsulfanylmethyl)furan?
The IUPAC name of 2-(3-methylsulfonylpropylsulfanylmethyl)furan (CID 71930272) is 2-(3-methylsulfonylpropylsulfanylmethyl)furan.
What is the SMILES notation for 2-(3-methylsulfonylpropylsulfanylmethyl)furan?
The canonical SMILES for 2-(3-methylsulfonylpropylsulfanylmethyl)furan is CS(=O)(=O)CCCSCc1ccco1.
What is the InChIKey of 2-(3-methylsulfonylpropylsulfanylmethyl)furan?
The InChIKey is JJFMCOIQZCAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3S2/c1-14(10,11)7-3-6-13-8-9-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropylsulfanylmethyl)furan?
2-(3-methylsulfonylpropylsulfanylmethyl)furan has a molecular weight of 234.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropylsulfanylmethyl)furan is sourced from PubChem (CID 71930272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).