6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene

C13H18S — CID 129069986

IUPAC6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCCc1ccc2c(c1)C(C)(C)CCS2
InChIInChI=1S/C13H18S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyZZMGFOMCJFRAIB-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.02
Rot. Bonds1

About 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene

6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene (PubChem CID 129069986) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
PubChem CID129069986
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCCc1ccc2c(c1)C(C)(C)CCS2
InChIInChI=1S/C13H18S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3
InChIKeyZZMGFOMCJFRAIB-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)boronic acid
CID 23005446
ethyl 5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-carboxylate
CID 15229191
6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 173298315
(NE)-N-[1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethylidene]hydroxylamine
CID 143077703
2-[6-(4,4-dimethyl-2,3-dihydrothiochromene-6-carbonyl)naphthalen-2-yl]-N-ethylacetamide
CID 139693192
(2R)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptan-1-ol
CID 129388058
diethoxyphosphoryl-[1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethenyl]phosphane
CID 59771854
(2R)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-3-en-2-ol
CID 129362641
diethyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzene-1,2-dicarboxylate
CID 19834236
5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-3-ethylfuran-2-carboxylic acid
CID 19975477
ethyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-ethynylpyridine-3-carboxylate
CID 87839831
4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene
CID 54260613

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene?
The IUPAC name of 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene (CID 129069986) is 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene.
What is the SMILES notation for 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene?
The canonical SMILES for 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene is CCc1ccc2c(c1)C(C)(C)CCS2.
What is the InChIKey of 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene?
The InChIKey is ZZMGFOMCJFRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene?
6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene has a molecular weight of 206.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene is sourced from PubChem (CID 129069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).