3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium

C12H19SY- — CID 58763103

IUPAC3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium
SMILESCC1=[C-]C(C(C)C)=C(C(C)C)SC1.[Y]
InChIInChI=1S/C12H19S.Y/c1-8(2)11-6-10(5)7-13-12(11)9(3)4;/h8-9H,7H2,1-5H3;/q-1;
InChIKeyLFTKJBOWAHVIEI-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.05
Rot. Bonds2

About 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium

3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium (PubChem CID 58763103) has the molecular formula C12H19SY- and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium.

Molecular Properties

Compound Name3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium
PubChem CID58763103
Molecular FormulaC12H19SY-
Molecular Weight284.26 g/mol
Exact Mass284.03
IUPAC Name3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium
SMILESCC1=[C-]C(C(C)C)=C(C(C)C)SC1.[Y]
InChIInChI=1S/C12H19S.Y/c1-8(2)11-6-10(5)7-13-12(11)9(3)4;/h8-9H,7H2,1-5H3;/q-1;
InChIKeyLFTKJBOWAHVIEI-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-Bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 13203361
3,4,5,6-tetramethyl-2H-thiopyran
CID 18339221
2-Ethyl-5,6-bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 20549605
2-Methyl-5,6-bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 20549616
(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran
CID 58718713
2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium
CID 58762996
6-Methyl-3,4-di(propan-2-yl)-2,5-dihydrothiopyran-5-ide;yttrium
CID 58763003
6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran
CID 59139246
2,5-dimethyl-3-[(E)-prop-1-enyl]sulfanylcyclohexa-1,3-diene
CID 89017726
4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran
CID 89041207
5-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 89041220
4-Ethylsulfanyl-1,5-dimethylcyclohexa-1,3-diene
CID 89053527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium?
The IUPAC name of 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium (CID 58763103) is 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium.
What is the SMILES notation for 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium?
The canonical SMILES for 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium is CC1=[C-]C(C(C)C)=C(C(C)C)SC1.[Y].
What is the InChIKey of 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium?
The InChIKey is LFTKJBOWAHVIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19S.Y/c1-8(2)11-6-10(5)7-13-12(11)9(3)4;/h8-9H,7H2,1-5H3;/q-1;.
What are the key properties of 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium?
3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium has a molecular weight of 284.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-di(propan-2-yl)-2,4-dihydrothiopyran-4-ide;yttrium is sourced from PubChem (CID 58763103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).