7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene

C11H14OS — CID 121216944

IUPAC7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCOc1ccc2c(c1)SCCC2C
InChIInChI=1S/C11H14OS/c1-8-5-6-13-11-7-9(12-2)3-4-10(8)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVFQOLTBISVBJAV-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.29
Rot. Bonds1

About 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene

7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 121216944) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
PubChem CID121216944
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCOc1ccc2c(c1)SCCC2C
InChIInChI=1S/C11H14OS/c1-8-5-6-13-11-7-9(12-2)3-4-10(8)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVFQOLTBISVBJAV-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911983
2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912486
2-amino-1-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912483
N-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 102972118
ethane;4-methyl-3,4-dihydro-2H-thiochromene-7-carbonitrile
CID 144911990
(4R)-4-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid
CID 59089463
6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83909235
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
4-(isocyanatomethyl)-6-methoxy-3,4-dihydro-2H-thiochromene
CID 83841981
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene (CID 121216944) is 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene is COc1ccc2c(c1)SCCC2C.
What is the InChIKey of 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is VFQOLTBISVBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-5-6-13-11-7-9(12-2)3-4-10(8)11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene?
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 194.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 121216944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).