(2,6-dimethylthiopyran-4-ylidene)sulfanium

C7H9S2+ — CID 23263444

IUPAC(2,6-dimethylthiopyran-4-ylidene)sulfanium
SMILES[H][S+]=c1cc(C)sc(C)c1
InChIInChI=1S/C7H8S2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3/p+1
InChIKeyFOLKHVLRCROMNZ-UHFFFAOYSA-O
MW157.28 g/mol
LogP2.18
Rot. Bonds

About (2,6-dimethylthiopyran-4-ylidene)sulfanium

(2,6-dimethylthiopyran-4-ylidene)sulfanium (PubChem CID 23263444) has the molecular formula C7H9S2+ and a molecular weight of 157.28 g/mol. Its IUPAC name is (2,6-dimethylthiopyran-4-ylidene)sulfanium.

Molecular Properties

Compound Name(2,6-dimethylthiopyran-4-ylidene)sulfanium
PubChem CID23263444
Molecular FormulaC7H9S2+
Molecular Weight157.28 g/mol
Exact Mass157.01
IUPAC Name(2,6-dimethylthiopyran-4-ylidene)sulfanium
SMILES[H][S+]=c1cc(C)sc(C)c1
InChIInChI=1S/C7H8S2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3/p+1
InChIKeyFOLKHVLRCROMNZ-UHFFFAOYSA-O
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylthiopyran-4-ylidene)sulfanium?
The IUPAC name of (2,6-dimethylthiopyran-4-ylidene)sulfanium (CID 23263444) is (2,6-dimethylthiopyran-4-ylidene)sulfanium.
What is the SMILES notation for (2,6-dimethylthiopyran-4-ylidene)sulfanium?
The canonical SMILES for (2,6-dimethylthiopyran-4-ylidene)sulfanium is [H][S+]=c1cc(C)sc(C)c1.
What is the InChIKey of (2,6-dimethylthiopyran-4-ylidene)sulfanium?
The InChIKey is FOLKHVLRCROMNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8S2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3/p+1.
What are the key properties of (2,6-dimethylthiopyran-4-ylidene)sulfanium?
(2,6-dimethylthiopyran-4-ylidene)sulfanium has a molecular weight of 157.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylthiopyran-4-ylidene)sulfanium is sourced from PubChem (CID 23263444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).