3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran

C12H22S2 — CID 134988752

IUPAC3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
SMILESCSC1(C(C)C)SCC(C)=C(C)C1C
InChIInChI=1S/C12H22S2/c1-8(2)12(13-6)11(5)10(4)9(3)7-14-12/h8,11H,7H2,1-6H3
InChIKeyBYZGSKDRQKBUKX-UHFFFAOYSA-N
MW230.44 g/mol
LogP4.42
Rot. Bonds2

About 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran

3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran (PubChem CID 134988752) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
PubChem CID134988752
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
SMILESCSC1(C(C)C)SCC(C)=C(C)C1C
InChIInChI=1S/C12H22S2/c1-8(2)12(13-6)11(5)10(4)9(3)7-14-12/h8,11H,7H2,1-6H3
InChIKeyBYZGSKDRQKBUKX-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran 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

6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606
5-Isopropenyl-2-methyl-1,3-di(ethylthio)-cyclohex-1-ene
CID 129819438
3,4,5,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134919707
2,3,4,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134988748
2,3,4-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988798
7,8-Dimethyl-5-thiaspiro[3.5]non-7-ene
CID 146167573
1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium
CID 3087754
2-[(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1,3-dithiane
CID 11780077
2-(2,6-Dimethylhept-5-EN-1-YL)-1,3-dithiolane
CID 15438874
2-(2,6-Dimethylhept-5-en-1-yl)-1,3-dithiane
CID 15470850

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The IUPAC name of 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran (CID 134988752) is 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran.
What is the SMILES notation for 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The canonical SMILES for 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran is CSC1(C(C)C)SCC(C)=C(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The InChIKey is BYZGSKDRQKBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-8(2)12(13-6)11(5)10(4)9(3)7-14-12/h8,11H,7H2,1-6H3.
What are the key properties of 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran has a molecular weight of 230.44 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran is sourced from PubChem (CID 134988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).