4-propan-2-yl-3,4-dihydro-2H-thiochromene

C12H16S — CID 59559023

IUPAC4-propan-2-yl-3,4-dihydro-2H-thiochromene
SMILESCC(C)C1CCSc2ccccc21
InChIInChI=1S/C12H16S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIUBNWWYBCFNKIH-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.92
Rot. Bonds1

About 4-propan-2-yl-3,4-dihydro-2H-thiochromene

4-propan-2-yl-3,4-dihydro-2H-thiochromene (PubChem CID 59559023) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 4-propan-2-yl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4-propan-2-yl-3,4-dihydro-2H-thiochromene
PubChem CID59559023
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name4-propan-2-yl-3,4-dihydro-2H-thiochromene
SMILESCC(C)C1CCSc2ccccc21
InChIInChI=1S/C12H16S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIUBNWWYBCFNKIH-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4-propan-2-yl-3,4-dihydro-2H-thiochromene (CID 59559023) is 4-propan-2-yl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4-propan-2-yl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4-propan-2-yl-3,4-dihydro-2H-thiochromene is CC(C)C1CCSc2ccccc21.
What is the InChIKey of 4-propan-2-yl-3,4-dihydro-2H-thiochromene?
The InChIKey is IUBNWWYBCFNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-3,4-dihydro-2H-thiochromene?
4-propan-2-yl-3,4-dihydro-2H-thiochromene has a molecular weight of 192.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 59559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).