8-methylsulfanyl-3,4-dihydro-2H-chromene

C10H12OS — CID 57137036

IUPAC8-methylsulfanyl-3,4-dihydro-2H-chromene
SMILESCSc1cccc2c1OCCC2
InChIInChI=1S/C10H12OS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6H,3,5,7H2,1H3
InChIKeyOMJWGRZGJJEUOV-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.73
Rot. Bonds1

About 8-methylsulfanyl-3,4-dihydro-2H-chromene

8-methylsulfanyl-3,4-dihydro-2H-chromene (PubChem CID 57137036) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 8-methylsulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-methylsulfanyl-3,4-dihydro-2H-chromene
PubChem CID57137036
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name8-methylsulfanyl-3,4-dihydro-2H-chromene
SMILESCSc1cccc2c1OCCC2
InChIInChI=1S/C10H12OS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6H,3,5,7H2,1H3
InChIKeyOMJWGRZGJJEUOV-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Ethyl-phenoxathiine
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4-Ethyl-phenoxathiine 10,10-dioxide
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4-Methyl-phenoxathiine 10,10-dioxide
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1-Methoxy-2-methyl-4-(methylthio)benzene
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2-Methylphenoxathiin
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Ethyl phenoxathiin
CID 10799369
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
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2-(1-Methoxyethyl)phenoxathiine
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8-Methylsulinylchromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-methylsulfanyl-3,4-dihydro-2H-chromene (CID 57137036) is 8-methylsulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-methylsulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-methylsulfanyl-3,4-dihydro-2H-chromene is CSc1cccc2c1OCCC2.
What is the InChIKey of 8-methylsulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is OMJWGRZGJJEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 8-methylsulfanyl-3,4-dihydro-2H-chromene?
8-methylsulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 180.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 57137036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).