2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol

C8H9N3S2 — CID 58265115

IUPAC2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
SMILESSCCNc1ncnc2ccsc12
InChIInChI=1S/C8H9N3S2/c12-3-2-9-8-7-6(1-4-13-7)10-5-11-8/h1,4-5,12H,2-3H2,(H,9,10,11)
InChIKeyZTCHUKDSENFGSZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.03
Rot. Bonds3

About 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol

2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol (PubChem CID 58265115) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol.

Molecular Properties

Compound Name2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
PubChem CID58265115
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
SMILESSCCNc1ncnc2ccsc12
InChIInChI=1S/C8H9N3S2/c12-3-2-9-8-7-6(1-4-13-7)10-5-11-8/h1,4-5,12H,2-3H2,(H,9,10,11)
InChIKeyZTCHUKDSENFGSZ-UHFFFAOYSA-N
XLogP2.03
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol?
The IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol (CID 58265115) is 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol.
What is the SMILES notation for 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol?
The canonical SMILES for 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol is SCCNc1ncnc2ccsc12.
What is the InChIKey of 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol?
The InChIKey is ZTCHUKDSENFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c12-3-2-9-8-7-6(1-4-13-7)10-5-11-8/h1,4-5,12H,2-3H2,(H,9,10,11).
What are the key properties of 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol?
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol has a molecular weight of 211.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol is sourced from PubChem (CID 58265115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).