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

C7H12OS2 — CID 20605807

IUPAC4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCSC1=C(C)CCS(=O)C1
InChIInChI=1S/C7H12OS2/c1-6-3-4-10(8)5-7(6)9-2/h3-5H2,1-2H3
InChIKeyLDUOEMOKXDZPAN-UHFFFAOYSA-N
MW176.31 g/mol
LogP1.78
Rot. Bonds1

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

4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 20605807) has the molecular formula C7H12OS2 and a molecular weight of 176.31 g/mol. Its IUPAC name is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID20605807
Molecular FormulaC7H12OS2
Molecular Weight176.31 g/mol
Exact Mass176.03
IUPAC Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCSC1=C(C)CCS(=O)C1
InChIInChI=1S/C7H12OS2/c1-6-3-4-10(8)5-7(6)9-2/h3-5H2,1-2H3
InChIKeyLDUOEMOKXDZPAN-UHFFFAOYSA-N
XLogP1.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 155935628
4,5-Dimethyl-2,3-dihydrothiophene 1-oxide
CID 14041190
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 20605806
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran
CID 20605808
5-methyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20671525
4-methyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 20813962
2,3,4-Trimethyl-2,5-dihydrothiophene 1-oxide
CID 22943740
(1S)-4,5-dimethyl-2,3-dihydrothiophene 1-oxide
CID 68082648
6-Ethyl-5-propyl-2,3-dihydro-1,4-dithiine 1-oxide
CID 70629570
4-Propan-2-ylidenethiane 1-oxide
CID 89041780
3,4,5-Trimethyl-2,3-dihydrothiophene 1-oxide
CID 90984890
4-ethyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 129208922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide (CID 20605807) is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide is CSC1=C(C)CCS(=O)C1.
What is the InChIKey of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is LDUOEMOKXDZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS2/c1-6-3-4-10(8)5-7(6)9-2/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide?
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 176.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 20605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).