2,3-dimethyl-3,4-dihydro-2H-thiochromene

C11H14S — CID 19855208

IUPAC2,3-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCC1Cc2ccccc2SC1C
InChIInChI=1S/C11H14S/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9H,7H2,1-2H3
InChIKeyDFBCQUWEFKAEOG-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.36
Rot. Bonds

About 2,3-dimethyl-3,4-dihydro-2H-thiochromene

2,3-dimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 19855208) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2,3-dimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name2,3-dimethyl-3,4-dihydro-2H-thiochromene
PubChem CID19855208
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2,3-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCC1Cc2ccccc2SC1C
InChIInChI=1S/C11H14S/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9H,7H2,1-2H3
InChIKeyDFBCQUWEFKAEOG-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
CID 11149916
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol
CID 105103129
14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene
CID 10808785
2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
CID 102045962
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
2,3-dihydro-1-benzothiophene-2-carboxylate
CID 74756271
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
CID 79223895
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79227605

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-thiochromene (CID 19855208) is 2,3-dimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 2,3-dimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 2,3-dimethyl-3,4-dihydro-2H-thiochromene is CC1Cc2ccccc2SC1C.
What is the InChIKey of 2,3-dimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is DFBCQUWEFKAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2,3-dimethyl-3,4-dihydro-2H-thiochromene?
2,3-dimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 178.30 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 19855208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).