(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde

C8H7NO2S2 — CID 39840667

IUPAC(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
SMILESC[C@H]1Sc2[nH]c(=O)sc2C=C1C=O
InChIInChI=1S/C8H7NO2S2/c1-4-5(3-10)2-6-7(12-4)9-8(11)13-6/h2-4H,1H3,(H,9,11)/t4-/m1/s1
InChIKeyBLZIKNPBRRKUMQ-SCSAIBSYSA-N
MW213.28 g/mol
LogP1.51
Rot. Bonds1

About (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde

(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde (PubChem CID 39840667) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
PubChem CID39840667
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
SMILESC[C@H]1Sc2[nH]c(=O)sc2C=C1C=O
InChIInChI=1S/C8H7NO2S2/c1-4-5(3-10)2-6-7(12-4)9-8(11)13-6/h2-4H,1H3,(H,9,11)/t4-/m1/s1
InChIKeyBLZIKNPBRRKUMQ-SCSAIBSYSA-N
XLogP1.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde?
The IUPAC name of (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde (CID 39840667) is (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde is C[C@H]1Sc2[nH]c(=O)sc2C=C1C=O.
What is the InChIKey of (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde?
The InChIKey is BLZIKNPBRRKUMQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c1-4-5(3-10)2-6-7(12-4)9-8(11)13-6/h2-4H,1H3,(H,9,11)/t4-/m1/s1.
What are the key properties of (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde?
(5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 39840667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).