4-(1,3-dithian-2-yl)-2,3-dihydrofuran

C8H12OS2 — CID 14060969

IUPAC4-(1,3-dithian-2-yl)-2,3-dihydrofuran
SMILESC1=C(C2SCCCS2)CCO1
InChIInChI=1S/C8H12OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h6,8H,1-5H2
InChIKeyYVRYFUFQYUJMSI-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.49
Rot. Bonds1

About 4-(1,3-dithian-2-yl)-2,3-dihydrofuran

4-(1,3-dithian-2-yl)-2,3-dihydrofuran (PubChem CID 14060969) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-2,3-dihydrofuran
PubChem CID14060969
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name4-(1,3-dithian-2-yl)-2,3-dihydrofuran
SMILESC1=C(C2SCCCS2)CCO1
InChIInChI=1S/C8H12OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h6,8H,1-5H2
InChIKeyYVRYFUFQYUJMSI-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydrofuran;1,3-dithiane
CID 159667538
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane
CID 176604484

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-2,3-dihydrofuran?
The IUPAC name of 4-(1,3-dithian-2-yl)-2,3-dihydrofuran (CID 14060969) is 4-(1,3-dithian-2-yl)-2,3-dihydrofuran.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-2,3-dihydrofuran?
The canonical SMILES for 4-(1,3-dithian-2-yl)-2,3-dihydrofuran is C1=C(C2SCCCS2)CCO1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-2,3-dihydrofuran?
The InChIKey is YVRYFUFQYUJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h6,8H,1-5H2.
What are the key properties of 4-(1,3-dithian-2-yl)-2,3-dihydrofuran?
4-(1,3-dithian-2-yl)-2,3-dihydrofuran has a molecular weight of 188.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-2,3-dihydrofuran is sourced from PubChem (CID 14060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).