thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid

C7H4N2O2S2 — CID 121352873

IUPACthieno[2,3-d]pyrimidin-4-ylsulfanylformic acid
SMILESO=C(O)Sc1ncnc2sccc12
InChIInChI=1S/C7H4N2O2S2/c10-7(11)13-6-4-1-2-12-5(4)8-3-9-6/h1-3H,(H,10,11)
InChIKeyMYXGATMLKRZWIZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.46
Rot. Bonds1

About thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid

thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid (PubChem CID 121352873) has the molecular formula C7H4N2O2S2 and a molecular weight of 212.25 g/mol. Its IUPAC name is thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid.

Molecular Properties

Compound Namethieno[2,3-d]pyrimidin-4-ylsulfanylformic acid
PubChem CID121352873
Molecular FormulaC7H4N2O2S2
Molecular Weight212.25 g/mol
Exact Mass211.97
IUPAC Namethieno[2,3-d]pyrimidin-4-ylsulfanylformic acid
SMILESO=C(O)Sc1ncnc2sccc12
InChIInChI=1S/C7H4N2O2S2/c10-7(11)13-6-4-1-2-12-5(4)8-3-9-6/h1-3H,(H,10,11)
InChIKeyMYXGATMLKRZWIZ-UHFFFAOYSA-N
XLogP2.46
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
CID 64914745
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpyridine-4-carboxylic acid
CID 60726195
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
4-bromo-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid
CID 115382265
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 24518916
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
CID 82146821
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889375
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
N-benzhydryl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17480949
4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 4814433
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid?
The IUPAC name of thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid (CID 121352873) is thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid.
What is the SMILES notation for thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid?
The canonical SMILES for thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid is O=C(O)Sc1ncnc2sccc12.
What is the InChIKey of thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid?
The InChIKey is MYXGATMLKRZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2S2/c10-7(11)13-6-4-1-2-12-5(4)8-3-9-6/h1-3H,(H,10,11).
What are the key properties of thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid?
thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid has a molecular weight of 212.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid is sourced from PubChem (CID 121352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).