3,5,8-trimethyl-3,4-dihydro-2H-thiochromene

C12H16S — CID 54004584

IUPAC3,5,8-trimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C)c2c1CC(C)CS2
InChIInChI=1S/C12H16S/c1-8-6-11-9(2)4-5-10(3)12(11)13-7-8/h4-5,8H,6-7H2,1-3H3
InChIKeyKNYJACXSMAGGCK-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.59
Rot. Bonds

About 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene

3,5,8-trimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 54004584) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name3,5,8-trimethyl-3,4-dihydro-2H-thiochromene
PubChem CID54004584
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name3,5,8-trimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C)c2c1CC(C)CS2
InChIInChI=1S/C12H16S/c1-8-6-11-9(2)4-5-10(3)12(11)13-7-8/h4-5,8H,6-7H2,1-3H3
InChIKeyKNYJACXSMAGGCK-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene (CID 54004584) is 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene is Cc1ccc(C)c2c1CC(C)CS2.
What is the InChIKey of 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is KNYJACXSMAGGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-8-6-11-9(2)4-5-10(3)12(11)13-7-8/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
3,5,8-trimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 192.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 54004584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).