3,5-dimethylthiopyran-2-thione

C7H8S2 — CID 12522198

IUPAC3,5-dimethylthiopyran-2-thione
SMILESCc1csc(=S)c(C)c1
InChIInChI=1S/C7H8S2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKeyACYCBILPCXZTDQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.09
Rot. Bonds

About 3,5-dimethylthiopyran-2-thione

3,5-dimethylthiopyran-2-thione (PubChem CID 12522198) has the molecular formula C7H8S2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,5-dimethylthiopyran-2-thione.

Molecular Properties

Compound Name3,5-dimethylthiopyran-2-thione
PubChem CID12522198
Molecular FormulaC7H8S2
Molecular Weight156.27 g/mol
Exact Mass156.01
IUPAC Name3,5-dimethylthiopyran-2-thione
SMILESCc1csc(=S)c(C)c1
InChIInChI=1S/C7H8S2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKeyACYCBILPCXZTDQ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylthiopyran-2-thione?
The IUPAC name of 3,5-dimethylthiopyran-2-thione (CID 12522198) is 3,5-dimethylthiopyran-2-thione.
What is the SMILES notation for 3,5-dimethylthiopyran-2-thione?
The canonical SMILES for 3,5-dimethylthiopyran-2-thione is Cc1csc(=S)c(C)c1.
What is the InChIKey of 3,5-dimethylthiopyran-2-thione?
The InChIKey is ACYCBILPCXZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3.
What are the key properties of 3,5-dimethylthiopyran-2-thione?
3,5-dimethylthiopyran-2-thione has a molecular weight of 156.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylthiopyran-2-thione is sourced from PubChem (CID 12522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).