2-(thian-4-yl)furan

C9H12OS — CID 68570880

IUPAC2-(thian-4-yl)furan
SMILESc1coc(C2CCSCC2)c1
InChIInChI=1S/C9H12OS/c1-2-9(10-5-1)8-3-6-11-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyCJIGQAXPBDUSHZ-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.89
Rot. Bonds1

About 2-(thian-4-yl)furan

2-(thian-4-yl)furan (PubChem CID 68570880) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(thian-4-yl)furan.

Molecular Properties

Compound Name2-(thian-4-yl)furan
PubChem CID68570880
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-(thian-4-yl)furan
SMILESc1coc(C2CCSCC2)c1
InChIInChI=1S/C9H12OS/c1-2-9(10-5-1)8-3-6-11-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyCJIGQAXPBDUSHZ-UHFFFAOYSA-N
XLogP2.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propylcyclohexyl)furan
CID 174853183
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
2-(furan-2-yl)-1,3-oxathiane
CID 134895251
2-(furan-2-yl)-1,3-oxathiolan-5-one
CID 139228180
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
5-(thian-4-yl)-1,3-oxazol-2-amine
CID 115016732
2-cyclopent-2-en-1-ylfuran
CID 57221216
(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine
CID 101201496
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 5323919

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)furan?
The IUPAC name of 2-(thian-4-yl)furan (CID 68570880) is 2-(thian-4-yl)furan.
What is the SMILES notation for 2-(thian-4-yl)furan?
The canonical SMILES for 2-(thian-4-yl)furan is c1coc(C2CCSCC2)c1.
What is the InChIKey of 2-(thian-4-yl)furan?
The InChIKey is CJIGQAXPBDUSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-9(10-5-1)8-3-6-11-7-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(thian-4-yl)furan?
2-(thian-4-yl)furan has a molecular weight of 168.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)furan is sourced from PubChem (CID 68570880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).