2-[(2-methylphenyl)methylsulfanylmethyl]furan

C13H14OS — CID 78761613

IUPAC2-[(2-methylphenyl)methylsulfanylmethyl]furan
SMILESCc1ccccc1CSCc1ccco1
InChIInChI=1S/C13H14OS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-8H,9-10H2,1H3
InChIKeyIMMUDOAHEQGKNZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.02
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanylmethyl]furan

2-[(2-methylphenyl)methylsulfanylmethyl]furan (PubChem CID 78761613) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanylmethyl]furan.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanylmethyl]furan
PubChem CID78761613
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name2-[(2-methylphenyl)methylsulfanylmethyl]furan
SMILESCc1ccccc1CSCc1ccco1
InChIInChI=1S/C13H14OS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-8H,9-10H2,1H3
InChIKeyIMMUDOAHEQGKNZ-UHFFFAOYSA-N
XLogP4.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78820535
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
2-amino-6-(furan-2-ylmethylsulfanylmethyl)benzoic acid
CID 113457461
2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
CID 60652149
2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
CID 103183368
2-(furan-2-ylmethylsulfanylmethyl)-6-nitroaniline
CID 107352612
3-(furan-2-ylmethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 55182251
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]furan?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]furan (CID 78761613) is 2-[(2-methylphenyl)methylsulfanylmethyl]furan.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanylmethyl]furan?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanylmethyl]furan is Cc1ccccc1CSCc1ccco1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanylmethyl]furan?
The InChIKey is IMMUDOAHEQGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfanylmethyl]furan?
2-[(2-methylphenyl)methylsulfanylmethyl]furan has a molecular weight of 218.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanylmethyl]furan is sourced from PubChem (CID 78761613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).