6,7-dimethoxy-4H-thiochromene

C11H12O2S — CID 153240535

IUPAC6,7-dimethoxy-4H-thiochromene
SMILESCOc1cc2c(cc1OC)SC=CC2
InChIInChI=1S/C11H12O2S/c1-12-9-6-8-4-3-5-14-11(8)7-10(9)13-2/h3,5-7H,4H2,1-2H3
InChIKeyWRJARUNKXSCIHY-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.87
Rot. Bonds2

About 6,7-dimethoxy-4H-thiochromene

6,7-dimethoxy-4H-thiochromene (PubChem CID 153240535) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6,7-dimethoxy-4H-thiochromene.

Molecular Properties

Compound Name6,7-dimethoxy-4H-thiochromene
PubChem CID153240535
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6,7-dimethoxy-4H-thiochromene
SMILESCOc1cc2c(cc1OC)SC=CC2
InChIInChI=1S/C11H12O2S/c1-12-9-6-8-4-3-5-14-11(8)7-10(9)13-2/h3,5-7H,4H2,1-2H3
InChIKeyWRJARUNKXSCIHY-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
5,6-dimethoxy-1,3-dihydro-2-benzothiophene
CID 14985069
6,13,20,22,24,26-hexamethoxy-3λ6,10λ6,17λ6-trithiatetracyclo[17.2.2.25,8.212,15]heptacosa-1(21),5(27),6,8(26),12,14,19,22,24-nonaene 3,3,10,10,17,17-hexaoxide
CID 163590434
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
2-(5,6-dimethoxy-1,3,2-benzodithiaphosphol-2-yl)-5,6-dimethoxy-1,3,2-benzodithiaphosphole
CID 139170767
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
CID 82277958
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene;N-methylethanamine
CID 143683938
2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene
CID 139973360

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4H-thiochromene?
The IUPAC name of 6,7-dimethoxy-4H-thiochromene (CID 153240535) is 6,7-dimethoxy-4H-thiochromene.
What is the SMILES notation for 6,7-dimethoxy-4H-thiochromene?
The canonical SMILES for 6,7-dimethoxy-4H-thiochromene is COc1cc2c(cc1OC)SC=CC2.
What is the InChIKey of 6,7-dimethoxy-4H-thiochromene?
The InChIKey is WRJARUNKXSCIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-12-9-6-8-4-3-5-14-11(8)7-10(9)13-2/h3,5-7H,4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4H-thiochromene?
6,7-dimethoxy-4H-thiochromene has a molecular weight of 208.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4H-thiochromene is sourced from PubChem (CID 153240535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).