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

C7H12O2S2 — CID 20605806

IUPAC4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCSC1=C(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S2/c1-6-3-4-11(8,9)5-7(6)10-2/h3-5H2,1-2H3
InChIKeyJGMRKWAUVWORIS-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.44
Rot. Bonds1

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

4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 20605806) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID20605806
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCSC1=C(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S2/c1-6-3-4-11(8,9)5-7(6)10-2/h3-5H2,1-2H3
InChIKeyJGMRKWAUVWORIS-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
3,4-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001955
2,3-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 458305
4,5-dimethyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 155935628
(2S)-3-ethyl-2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413489
4-methyl-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 21762577
2-Propan-2-ylidenethiolane 1,1-dioxide
CID 10012183
4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 11321024
4,5-Dimethyl-2,3-dihydrothiophene 1,1-dioxide
CID 12490514
5-Ethyl-6-methyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
CID 12920067
5-Ethyl-2,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
CID 12920075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 20605806) is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide is CSC1=C(C)CCS(=O)(=O)C1.
What is the InChIKey of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is JGMRKWAUVWORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-6-3-4-11(8,9)5-7(6)10-2/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 192.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 20605806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).