2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan

C14H14OS2 — CID 79326319

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan
SMILESc1coc(CSCC2CSc3ccccc32)c1
InChIInChI=1S/C14H14OS2/c1-2-6-14-13(5-1)11(9-17-14)8-16-10-12-4-3-7-15-12/h1-7,11H,8-10H2
InChIKeyFUICYIYGVJMASB-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.40
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan

2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan (PubChem CID 79326319) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan
PubChem CID79326319
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan
SMILESc1coc(CSCC2CSc3ccccc32)c1
InChIInChI=1S/C14H14OS2/c1-2-6-14-13(5-1)11(9-17-14)8-16-10-12-4-3-7-15-12/h1-7,11H,8-10H2
InChIKeyFUICYIYGVJMASB-UHFFFAOYSA-N
XLogP4.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
CID 79315304
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
CID 79221485
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanylmethyl)furan
CID 79326430
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)propan-1-amine
CID 79220881
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methylpyrimidine
CID 79326437
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
4-(bromomethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxane
CID 79226239
2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
CID 23744213
2-[3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 79220798
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
CID 79320051

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan (CID 79326319) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan is c1coc(CSCC2CSc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan?
The InChIKey is FUICYIYGVJMASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c1-2-6-14-13(5-1)11(9-17-14)8-16-10-12-4-3-7-15-12/h1-7,11H,8-10H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan?
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan has a molecular weight of 262.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan is sourced from PubChem (CID 79326319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).