5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide

C7H12OS — CID 13330833

IUPAC5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1=C(C)S(=O)CCC1
InChIInChI=1S/C7H12OS/c1-6-4-3-5-9(8)7(6)2/h3-5H2,1-2H3
InChIKeyNZMMYGREWKORNX-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.82
Rot. Bonds

About 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide

5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide (PubChem CID 13330833) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
PubChem CID13330833
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1=C(C)S(=O)CCC1
InChIInChI=1S/C7H12OS/c1-6-4-3-5-9(8)7(6)2/h3-5H2,1-2H3
InChIKeyNZMMYGREWKORNX-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
1-(Difluoromethyl)-4,5-dimethyl-2-propylsulfinylcyclohexa-1,4-diene
CID 10868653
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
4,5-Dipropyl-2,3-dihydrothiophene 1-oxide
CID 129751983
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
4,5-dimethyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 155935628
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330835
4,5-Dimethyl-2,3-dihydrothiophene 1-oxide
CID 14041190
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20605807
5-methyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20671525
4-methyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20813962

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide (CID 13330833) is 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide is CC1=C(C)S(=O)CCC1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The InChIKey is NZMMYGREWKORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-6-4-3-5-9(8)7(6)2/h3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide has a molecular weight of 144.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 13330833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).