5,6-dimethoxy-1,3-dihydro-2-benzothiophene

C10H12O2S — CID 14985069

IUPAC5,6-dimethoxy-1,3-dihydro-2-benzothiophene
SMILESCOc1cc2c(cc1OC)CSC2
InChIInChI=1S/C10H12O2S/c1-11-9-3-7-5-13-6-8(7)4-10(9)12-2/h3-4H,5-6H2,1-2H3
InChIKeyINKQNUVDCHOGDW-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.45
Rot. Bonds2

About 5,6-dimethoxy-1,3-dihydro-2-benzothiophene

5,6-dimethoxy-1,3-dihydro-2-benzothiophene (PubChem CID 14985069) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 5,6-dimethoxy-1,3-dihydro-2-benzothiophene.

Molecular Properties

Compound Name5,6-dimethoxy-1,3-dihydro-2-benzothiophene
PubChem CID14985069
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name5,6-dimethoxy-1,3-dihydro-2-benzothiophene
SMILESCOc1cc2c(cc1OC)CSC2
InChIInChI=1S/C10H12O2S/c1-11-9-3-7-5-13-6-8(7)4-10(9)12-2/h3-4H,5-6H2,1-2H3
InChIKeyINKQNUVDCHOGDW-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
CID 121337465
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
33,35-dimethoxy-13,20-dithiaheptacyclo[30.2.2.215,18.04,27.06,29.09,22.011,24]octatriaconta-1(34),4(27),5,9,11(24),15,17,22,28,32,35,37-dodecaene
CID 12668703
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
7,15,33,35-tetramethoxy-23,31,37,39-tetramethyl-3,4,11,12,19,20,27,28-octathiapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-1(33),6,8,14,16,22(36),23,25(35),30(34),31,37,39-dodecaene
CID 121337437
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 628542
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
N-ethyl-7,8-dimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888975
5,6-dimethoxy-3,8-dihydrocyclobuta[b]naphthalene-1,2-dione
CID 10752785
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,3-dihydro-2-benzothiophene?
The IUPAC name of 5,6-dimethoxy-1,3-dihydro-2-benzothiophene (CID 14985069) is 5,6-dimethoxy-1,3-dihydro-2-benzothiophene.
What is the SMILES notation for 5,6-dimethoxy-1,3-dihydro-2-benzothiophene?
The canonical SMILES for 5,6-dimethoxy-1,3-dihydro-2-benzothiophene is COc1cc2c(cc1OC)CSC2.
What is the InChIKey of 5,6-dimethoxy-1,3-dihydro-2-benzothiophene?
The InChIKey is INKQNUVDCHOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-11-9-3-7-5-13-6-8(7)4-10(9)12-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 5,6-dimethoxy-1,3-dihydro-2-benzothiophene?
5,6-dimethoxy-1,3-dihydro-2-benzothiophene has a molecular weight of 196.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,3-dihydro-2-benzothiophene is sourced from PubChem (CID 14985069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).