imidazo[1,2-c]pyrimidine-8-thiol

C6H5N3S — CID 155755374

IUPACimidazo[1,2-c]pyrimidine-8-thiol
SMILESSc1cncn2ccnc12
InChIInChI=1S/C6H5N3S/c10-5-3-7-4-9-2-1-8-6(5)9/h1-4,10H
InChIKeyQMJJZYDWOTZCPI-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.02
Rot. Bonds

About imidazo[1,2-c]pyrimidine-8-thiol

imidazo[1,2-c]pyrimidine-8-thiol (PubChem CID 155755374) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is imidazo[1,2-c]pyrimidine-8-thiol.

Molecular Properties

Compound Nameimidazo[1,2-c]pyrimidine-8-thiol
PubChem CID155755374
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Nameimidazo[1,2-c]pyrimidine-8-thiol
SMILESSc1cncn2ccnc12
InChIInChI=1S/C6H5N3S/c10-5-3-7-4-9-2-1-8-6(5)9/h1-4,10H
InChIKeyQMJJZYDWOTZCPI-UHFFFAOYSA-N
XLogP1.02
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 imidazo[1,2-c]pyrimidine-8-thiol?
The IUPAC name of imidazo[1,2-c]pyrimidine-8-thiol (CID 155755374) is imidazo[1,2-c]pyrimidine-8-thiol.
What is the SMILES notation for imidazo[1,2-c]pyrimidine-8-thiol?
The canonical SMILES for imidazo[1,2-c]pyrimidine-8-thiol is Sc1cncn2ccnc12.
What is the InChIKey of imidazo[1,2-c]pyrimidine-8-thiol?
The InChIKey is QMJJZYDWOTZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c10-5-3-7-4-9-2-1-8-6(5)9/h1-4,10H.
What are the key properties of imidazo[1,2-c]pyrimidine-8-thiol?
imidazo[1,2-c]pyrimidine-8-thiol has a molecular weight of 151.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-c]pyrimidine-8-thiol is sourced from PubChem (CID 155755374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).