3-(6-propan-2-ylthian-3-yl)furan

C12H18OS — CID 57145132

IUPAC3-(6-propan-2-ylthian-3-yl)furan
SMILESCC(C)C1CCC(c2ccoc2)CS1
InChIInChI=1S/C12H18OS/c1-9(2)12-4-3-11(8-14-12)10-5-6-13-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3
InChIKeyHFAJQNWKBFFSJU-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.91
Rot. Bonds2

About 3-(6-propan-2-ylthian-3-yl)furan

3-(6-propan-2-ylthian-3-yl)furan (PubChem CID 57145132) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 3-(6-propan-2-ylthian-3-yl)furan.

Molecular Properties

Compound Name3-(6-propan-2-ylthian-3-yl)furan
PubChem CID57145132
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name3-(6-propan-2-ylthian-3-yl)furan
SMILESCC(C)C1CCC(c2ccoc2)CS1
InChIInChI=1S/C12H18OS/c1-9(2)12-4-3-11(8-14-12)10-5-6-13-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3
InChIKeyHFAJQNWKBFFSJU-UHFFFAOYSA-N
XLogP3.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-ylthian-3-yl)furan?
The IUPAC name of 3-(6-propan-2-ylthian-3-yl)furan (CID 57145132) is 3-(6-propan-2-ylthian-3-yl)furan.
What is the SMILES notation for 3-(6-propan-2-ylthian-3-yl)furan?
The canonical SMILES for 3-(6-propan-2-ylthian-3-yl)furan is CC(C)C1CCC(c2ccoc2)CS1.
What is the InChIKey of 3-(6-propan-2-ylthian-3-yl)furan?
The InChIKey is HFAJQNWKBFFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9(2)12-4-3-11(8-14-12)10-5-6-13-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3.
What are the key properties of 3-(6-propan-2-ylthian-3-yl)furan?
3-(6-propan-2-ylthian-3-yl)furan has a molecular weight of 210.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-ylthian-3-yl)furan is sourced from PubChem (CID 57145132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).