6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene

C12H14OS — CID 144526908

IUPAC6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene
SMILESCOc1cc2c(cc1SC)=CCCC=2
InChIInChI=1S/C12H14OS/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h5-8H,3-4H2,1-2H3
InChIKeyPPNZZAFFACHKGH-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.77
Rot. Bonds2

About 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene

6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene (PubChem CID 144526908) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene
PubChem CID144526908
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene
SMILESCOc1cc2c(cc1SC)=CCCC=2
InChIInChI=1S/C12H14OS/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h5-8H,3-4H2,1-2H3
InChIKeyPPNZZAFFACHKGH-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-6-fluoro-7-methoxy-3,5-dihydro-1H-isothiochromene
CID 140993697
2-Methoxy-1-methylsulfanylcyclohexa-1,3-diene
CID 19365556
5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran
CID 20673454
6-methoxy-1H-naphthalen-1-ide;thorium
CID 20700698
2,7-Dihydrothiopyrano[4,3-b]pyran
CID 56609471
4-(2H-thiopyran-2-yl)-2H-pyran
CID 66629073
4-ethenyl-7-methoxy-4aH-isothiochromene
CID 70580462
5,8a-Dihydrothiopyrano[4,3-b]pyran
CID 70629360
7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene
CID 123304898
(4-Methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-lambda4-sulfane
CID 123876430
3-ethoxy-8aH-thiochromen-2-ol
CID 140403181
6-methoxy-8aH-thiochromen-2-ol
CID 140403182

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene?
The IUPAC name of 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene (CID 144526908) is 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene is COc1cc2c(cc1SC)=CCCC=2.
What is the InChIKey of 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene?
The InChIKey is PPNZZAFFACHKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene?
6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene has a molecular weight of 206.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methylsulfanyl-2,3-dihydronaphthalene is sourced from PubChem (CID 144526908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).