(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile

C9H7N3S2 — CID 7889352

IUPAC(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
SMILESC[C@@H](C#N)Sc1ncnc2sccc12
InChIInChI=1S/C9H7N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,1H3/t6-/m0/s1
InChIKeyVTANMDVKHMGWDB-LURJTMIESA-N
MW221.31 g/mol
LogP2.70
Rot. Bonds2

About (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile

(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile (PubChem CID 7889352) has the molecular formula C9H7N3S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile.

Molecular Properties

Compound Name(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
PubChem CID7889352
Molecular FormulaC9H7N3S2
Molecular Weight221.31 g/mol
Exact Mass221.01
IUPAC Name(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
SMILESC[C@@H](C#N)Sc1ncnc2sccc12
InChIInChI=1S/C9H7N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,1H3/t6-/m0/s1
InChIKeyVTANMDVKHMGWDB-LURJTMIESA-N
XLogP2.70
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile?
The IUPAC name of (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile (CID 7889352) is (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile.
What is the SMILES notation for (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile?
The canonical SMILES for (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile is C[C@@H](C#N)Sc1ncnc2sccc12.
What is the InChIKey of (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile?
The InChIKey is VTANMDVKHMGWDB-LURJTMIESA-N. The full InChI is InChI=1S/C9H7N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile?
(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile has a molecular weight of 221.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile is sourced from PubChem (CID 7889352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).