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

C12H16S — CID 141056299

IUPAC4,5,8-trimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C)c2c1SCCC2C
InChIInChI=1S/C12H16S/c1-8-4-5-10(3)12-11(8)9(2)6-7-13-12/h4-5,9H,6-7H2,1-3H3
InChIKeyZWUJDFTYXZVZNI-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.90
Rot. Bonds

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

4,5,8-trimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 141056299) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4,5,8-trimethyl-3,4-dihydro-2H-thiochromene
PubChem CID141056299
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name4,5,8-trimethyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C)c2c1SCCC2C
InChIInChI=1S/C12H16S/c1-8-4-5-10(3)12-11(8)9(2)6-7-13-12/h4-5,9H,6-7H2,1-3H3
InChIKeyZWUJDFTYXZVZNI-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
CID 22118423
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417474
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol
CID 70344076
8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83907482
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633
2,3,5,8-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79413950
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686783
1,4-dimethyl-1,2-dihydrobenzo[e][1]benzothiole
CID 123776861
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984

Frequently Asked Questions

What is the IUPAC name of 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene (CID 141056299) is 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene is Cc1ccc(C)c2c1SCCC2C.
What is the InChIKey of 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is ZWUJDFTYXZVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-8-4-5-10(3)12-11(8)9(2)6-7-13-12/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene?
4,5,8-trimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 192.33 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 141056299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).