2,3-dihydrothiepino[2,3-b]furan

C8H8OS — CID 134491034

IUPAC2,3-dihydrothiepino[2,3-b]furan
SMILESC1=CSC2=C(C=C1)CCO2
InChIInChI=1S/C8H8OS/c1-2-6-10-8-7(3-1)4-5-9-8/h1-3,6H,4-5H2
InChIKeyHBBDZWOTCRGJHQ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.43
Rot. Bonds

About 2,3-dihydrothiepino[2,3-b]furan

2,3-dihydrothiepino[2,3-b]furan (PubChem CID 134491034) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,3-dihydrothiepino[2,3-b]furan.

Molecular Properties

Compound Name2,3-dihydrothiepino[2,3-b]furan
PubChem CID134491034
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2,3-dihydrothiepino[2,3-b]furan
SMILESC1=CSC2=C(C=C1)CCO2
InChIInChI=1S/C8H8OS/c1-2-6-10-8-7(3-1)4-5-9-8/h1-3,6H,4-5H2
InChIKeyHBBDZWOTCRGJHQ-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiepino[2,3-b]furan?
The IUPAC name of 2,3-dihydrothiepino[2,3-b]furan (CID 134491034) is 2,3-dihydrothiepino[2,3-b]furan.
What is the SMILES notation for 2,3-dihydrothiepino[2,3-b]furan?
The canonical SMILES for 2,3-dihydrothiepino[2,3-b]furan is C1=CSC2=C(C=C1)CCO2.
What is the InChIKey of 2,3-dihydrothiepino[2,3-b]furan?
The InChIKey is HBBDZWOTCRGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-6-10-8-7(3-1)4-5-9-8/h1-3,6H,4-5H2.
What are the key properties of 2,3-dihydrothiepino[2,3-b]furan?
2,3-dihydrothiepino[2,3-b]furan has a molecular weight of 152.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiepino[2,3-b]furan is sourced from PubChem (CID 134491034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).