CID 156642035

C6H8N3OPoS — CID 156642035

IUPAC—
SMILESO=C(C[Po])SCCc1cn[nH]n1
InChIInChI=1S/C6H8N3OS.Po/c1-5(10)11-3-2-6-4-7-9-8-6;/h4H,1-3H2,(H,7,8,9);
InChIKeyGLKKAZRRJPIIPH-UHFFFAOYSA-N
MW379.22 g/mol
LogP0.19
Rot. Bonds4

About CID 156642035

CID 156642035 (PubChem CID 156642035) has the molecular formula C6H8N3OPoS and a molecular weight of 379.22 g/mol.

Molecular Properties

Compound NameCID 156642035
PubChem CID156642035
Molecular FormulaC6H8N3OPoS
Molecular Weight379.22 g/mol
Exact Mass379.02
IUPAC Name—
SMILESO=C(C[Po])SCCc1cn[nH]n1
InChIInChI=1S/C6H8N3OS.Po/c1-5(10)11-3-2-6-4-7-9-8-6;/h4H,1-3H2,(H,7,8,9);
InChIKeyGLKKAZRRJPIIPH-UHFFFAOYSA-N
XLogP0.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156642035?
The IUPAC name of CID 156642035 (CID 156642035) is not available.
What is the SMILES notation for CID 156642035?
The canonical SMILES for CID 156642035 is O=C(C[Po])SCCc1cn[nH]n1.
What is the InChIKey of CID 156642035?
The InChIKey is GLKKAZRRJPIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3OS.Po/c1-5(10)11-3-2-6-4-7-9-8-6;/h4H,1-3H2,(H,7,8,9);.
What are the key properties of CID 156642035?
CID 156642035 has a molecular weight of 379.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156642035 is sourced from PubChem (CID 156642035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).