2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde

C9H8N2OS2 — CID 142801611

IUPAC2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCSc1ncc2cc(C=O)sc2n1
InChIInChI=1S/C9H8N2OS2/c1-2-13-9-10-4-6-3-7(5-12)14-8(6)11-9/h3-5H,2H2,1H3
InChIKeyCCCQEZZLVSMHRF-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.62
Rot. Bonds3

About 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde

2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 142801611) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID142801611
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCSc1ncc2cc(C=O)sc2n1
InChIInChI=1S/C9H8N2OS2/c1-2-13-9-10-4-6-3-7(5-12)14-8(6)11-9/h3-5H,2H2,1H3
InChIKeyCCCQEZZLVSMHRF-UHFFFAOYSA-N
XLogP2.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
6-bromothieno[2,3-b]pyridine-2-carbaldehyde
CID 82387205
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125451453
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 89208082
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 135374377
8-ethylsulfanylquinoline-3-carbaldehyde
CID 153373916
2-(ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 13317020
2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 45084000
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
CID 130836029
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluorophenyl)methanone
CID 11974833

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde (CID 142801611) is 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde is CCSc1ncc2cc(C=O)sc2n1.
What is the InChIKey of 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is CCCQEZZLVSMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-2-13-9-10-4-6-3-7(5-12)14-8(6)11-9/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde?
2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 224.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 142801611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).