6-fluoro-5-methyl-2H-thiopyran

C6H7FS — CID 143781863

IUPAC6-fluoro-5-methyl-2H-thiopyran
SMILESCC1=C(F)SCC=C1
InChIInChI=1S/C6H7FS/c1-5-3-2-4-8-6(5)7/h2-3H,4H2,1H3
InChIKeySCOIPVQUOQDCMJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.49
Rot. Bonds

About 6-fluoro-5-methyl-2H-thiopyran

6-fluoro-5-methyl-2H-thiopyran (PubChem CID 143781863) has the molecular formula C6H7FS and a molecular weight of 130.19 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2H-thiopyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2H-thiopyran
PubChem CID143781863
Molecular FormulaC6H7FS
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name6-fluoro-5-methyl-2H-thiopyran
SMILESCC1=C(F)SCC=C1
InChIInChI=1S/C6H7FS/c1-5-3-2-4-8-6(5)7/h2-3H,4H2,1H3
InChIKeySCOIPVQUOQDCMJ-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-(2H)-thiapyran
CID 527054
4-Trifluoromethyl-2h-thiopyran
CID 129860350
2,2-Bis(trifluoromethyl) thiopyran
CID 129860431
4-methyl-2H-thiopyran
CID 18974596
dimethyl-2H-thiopyran
CID 129890696
4-Fluorocyclohexa-1,5-diene-1-carbothialdehyde
CID 89330132
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
2-fluoro-5-[(1E,3Z)-4-methylsulfanylpenta-1,3-dienyl]cyclohepta-1,3,5-triene
CID 132198726
2-methyl-5-(trifluoromethyl)-2H-thiopyran
CID 142828312
(3Z)-2-(fluoromethylsulfanyl)-5-methylhexa-1,3,5-triene
CID 145628249
6-fluoro-2-methyl-2H-thiopyran
CID 155395526
(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
CID 162749753

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2H-thiopyran?
The IUPAC name of 6-fluoro-5-methyl-2H-thiopyran (CID 143781863) is 6-fluoro-5-methyl-2H-thiopyran.
What is the SMILES notation for 6-fluoro-5-methyl-2H-thiopyran?
The canonical SMILES for 6-fluoro-5-methyl-2H-thiopyran is CC1=C(F)SCC=C1.
What is the InChIKey of 6-fluoro-5-methyl-2H-thiopyran?
The InChIKey is SCOIPVQUOQDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FS/c1-5-3-2-4-8-6(5)7/h2-3H,4H2,1H3.
What are the key properties of 6-fluoro-5-methyl-2H-thiopyran?
6-fluoro-5-methyl-2H-thiopyran has a molecular weight of 130.19 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2H-thiopyran is sourced from PubChem (CID 143781863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).