3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C14H20S — CID 138976078

IUPAC3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCCSC1CCc2ccccc2C1(C)C
InChIInChI=1S/C14H20S/c1-4-15-13-10-9-11-7-5-6-8-12(11)14(13,2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyMREJTHIQRYTREV-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.03
Rot. Bonds2

About 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene

3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 138976078) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID138976078
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCCSC1CCc2ccccc2C1(C)C
InChIInChI=1S/C14H20S/c1-4-15-13-10-9-11-7-5-6-8-12(11)14(13,2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyMREJTHIQRYTREV-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
(1,1-diethyl-3,4-dihydro-2H-naphthalen-2-yl)methanol
CID 176704154
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
(1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine
CID 3733027
(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole
CID 121400495
7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 142185328
2-iodo-3,3-dimethyl-1,2-dihydroindene
CID 70493700
1,1,4a-trimethyl-4,9,10,10a-tetrahydrophenanthrene
CID 123682329
2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
CID 43830917
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
CID 22975328
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 138976078) is 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CCSC1CCc2ccccc2C1(C)C.
What is the InChIKey of 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is MREJTHIQRYTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-4-15-13-10-9-11-7-5-6-8-12(11)14(13,2)3/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 220.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 138976078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).