6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran

C9H16S2 — CID 12669525

IUPAC6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
SMILESCSC1(C(C)C)CC=CCS1
InChIInChI=1S/C9H16S2/c1-8(2)9(10-3)6-4-5-7-11-9/h4-5,8H,6-7H2,1-3H3
InChIKeyOUWDYYLKQRXOBM-UHFFFAOYSA-N
MW188.36 g/mol
LogP3.39
Rot. Bonds2

About 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran

6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran (PubChem CID 12669525) has the molecular formula C9H16S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
PubChem CID12669525
Molecular FormulaC9H16S2
Molecular Weight188.36 g/mol
Exact Mass188.07
IUPAC Name6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
SMILESCSC1(C(C)C)CC=CCS1
InChIInChI=1S/C9H16S2/c1-8(2)9(10-3)6-4-5-7-11-9/h4-5,8H,6-7H2,1-3H3
InChIKeyOUWDYYLKQRXOBM-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
(E,5S)-6-methyl-5-methylsulfanyl-1-(3,3,3-trifluoropropylsulfanyl)hept-2-ene
CID 147599753
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135
2-[(E)-pent-1-enyl]-1,3-dithiane
CID 11041517
2-[(Z)-oct-2-enyl]-1,3-dithiane
CID 11117877
2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559
2-Cyclohex-3-en-1-yl-1,3-dithiane
CID 13087920
2-[(E)-hex-4-enyl]-1,3-dithiane
CID 14783961
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithiane
CID 92036263
Diathyl-methyl-1,3-dithiin
CID 129632533

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The IUPAC name of 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran (CID 12669525) is 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran.
What is the SMILES notation for 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The canonical SMILES for 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran is CSC1(C(C)C)CC=CCS1.
What is the InChIKey of 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
The InChIKey is OUWDYYLKQRXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S2/c1-8(2)9(10-3)6-4-5-7-11-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran?
6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran has a molecular weight of 188.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran is sourced from PubChem (CID 12669525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).