6-ethyl-2H-thiopyran

C7H10S — CID 19737637

IUPAC6-ethyl-2H-thiopyran
SMILESCCC1=CC=CCS1
InChIInChI=1S/C7H10S/c1-2-7-5-3-4-6-8-7/h3-5H,2,6H2,1H3
InChIKeyABMXWGGKGPLMMZ-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.58
Rot. Bonds1

About 6-ethyl-2H-thiopyran

6-ethyl-2H-thiopyran (PubChem CID 19737637) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 6-ethyl-2H-thiopyran.

Molecular Properties

Compound Name6-ethyl-2H-thiopyran
PubChem CID19737637
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name6-ethyl-2H-thiopyran
SMILESCCC1=CC=CCS1
InChIInChI=1S/C7H10S/c1-2-7-5-3-4-6-8-7/h3-5H,2,6H2,1H3
InChIKeyABMXWGGKGPLMMZ-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydrothiepine
CID 640540
3,6-Dihydro-2H-thiopyran
CID 567880
2-methyl-(2H)-thiapyran
CID 527054
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
2-Methyl-5,6-dihydrothiopyran
CID 13615975
4-Ethylthiocyclopentadiene
CID 68403138
dimethyl-2H-thiopyran
CID 129890696
2-Ethyl-1-methylthiophen-1-ium
CID 138976345
2-Fluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 138465314
1-Ethylsulfanyl-4-fluorocyclohexa-1,3-diene
CID 144390204

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2H-thiopyran?
The IUPAC name of 6-ethyl-2H-thiopyran (CID 19737637) is 6-ethyl-2H-thiopyran.
What is the SMILES notation for 6-ethyl-2H-thiopyran?
The canonical SMILES for 6-ethyl-2H-thiopyran is CCC1=CC=CCS1.
What is the InChIKey of 6-ethyl-2H-thiopyran?
The InChIKey is ABMXWGGKGPLMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-2-7-5-3-4-6-8-7/h3-5H,2,6H2,1H3.
What are the key properties of 6-ethyl-2H-thiopyran?
6-ethyl-2H-thiopyran has a molecular weight of 126.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2H-thiopyran is sourced from PubChem (CID 19737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).