3-(1,3-dithian-2-yl)furan

C8H10OS2 — CID 10726225

IUPAC3-(1,3-dithian-2-yl)furan
SMILESc1cc(C2SCCCS2)co1
InChIInChI=1S/C8H10OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h2-3,6,8H,1,4-5H2
InChIKeyNORGSJQLRBXSPM-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.15
Rot. Bonds1

About 3-(1,3-dithian-2-yl)furan

3-(1,3-dithian-2-yl)furan (PubChem CID 10726225) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(1,3-dithian-2-yl)furan.

Molecular Properties

Compound Name3-(1,3-dithian-2-yl)furan
PubChem CID10726225
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name3-(1,3-dithian-2-yl)furan
SMILESc1cc(C2SCCCS2)co1
InChIInChI=1S/C8H10OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h2-3,6,8H,1,4-5H2
InChIKeyNORGSJQLRBXSPM-UHFFFAOYSA-N
XLogP3.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethylthiofuran
CID 525400
2-(2-Propen-1-ylthio)furan
CID 12452300
3-Furancarbothialdehyde
CID 23322491
Propanal, 3-(2-furanylthio)-
CID 111781
4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran
CID 139474990
2-[(Methylthio)methyl]-3-(3-furyl)acrolein
CID 6428931
3-(Methylthio)methylfuran
CID 15274801
3-[Bis(methylsulfanyl)methyl]furan
CID 21772231
2-Cyclohexylsulfanylfuran
CID 86196798
7-Methylallyl 2-furyl sulfide
CID 129792278
CID 134895118
CID 134895118
3-[Bis(butylsulfanyl)methyl]furan
CID 134929337

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dithian-2-yl)furan?
The IUPAC name of 3-(1,3-dithian-2-yl)furan (CID 10726225) is 3-(1,3-dithian-2-yl)furan.
What is the SMILES notation for 3-(1,3-dithian-2-yl)furan?
The canonical SMILES for 3-(1,3-dithian-2-yl)furan is c1cc(C2SCCCS2)co1.
What is the InChIKey of 3-(1,3-dithian-2-yl)furan?
The InChIKey is NORGSJQLRBXSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h2-3,6,8H,1,4-5H2.
What are the key properties of 3-(1,3-dithian-2-yl)furan?
3-(1,3-dithian-2-yl)furan has a molecular weight of 186.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dithian-2-yl)furan is sourced from PubChem (CID 10726225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).