4,4-dimethyl-2,3-dihydrothiochromene 1-oxide

C11H14OS — CID 118181619

IUPAC4,4-dimethyl-2,3-dihydrothiochromene 1-oxide
SMILESCC1(C)CCS(=O)c2ccccc21
InChIInChI=1S/C11H14OS/c1-11(2)7-8-13(12)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyFGUACECGBKRWQQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.48
Rot. Bonds

About 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide

4,4-dimethyl-2,3-dihydrothiochromene 1-oxide (PubChem CID 118181619) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydrothiochromene 1-oxide
PubChem CID118181619
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4,4-dimethyl-2,3-dihydrothiochromene 1-oxide
SMILESCC1(C)CCS(=O)c2ccccc21
InChIInChI=1S/C11H14OS/c1-11(2)7-8-13(12)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyFGUACECGBKRWQQ-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 21162211
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
(1S,3R)-1lambda4,3lambda4-benzodithiole 1,3-dioxide
CID 11891924
ethane;4-methyl-3,4-dihydro-2H-thiochromene 1-oxide
CID 143889078
3,4-dihydro-2H-thiochromene 1-oxide;hydrochloride
CID 175204383
5,5-dimethyl-3,4-dihydro-2H-1-benzothiepine
CID 19935502
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
CID 621575
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
2,2,7,7,16,16,21,21-octamethyl-31,34-dioxaheptacyclo[20.6.2.28,15.11,22.18,15.09,14.023,28]tetratriaconta-4,9,11,13,18,23,25,27-octaene-3,6,17,20-tetrone
CID 4191695
1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
CID 114229314

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide?
The IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide (CID 118181619) is 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide?
The canonical SMILES for 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide is CC1(C)CCS(=O)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide?
The InChIKey is FGUACECGBKRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(2)7-8-13(12)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide?
4,4-dimethyl-2,3-dihydrothiochromene 1-oxide has a molecular weight of 194.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydrothiochromene 1-oxide is sourced from PubChem (CID 118181619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).