CID 156641845

C5H7N4OPoS — CID 156641845

IUPAC—
SMILESO=C(C[Po])SCCn1cnnn1
InChIInChI=1S/C5H7N4OS.Po/c1-5(10)11-3-2-9-4-6-7-8-9;/h4H,1-3H2;
InChIKeyBSSZKGDQOOFUNI-UHFFFAOYSA-N
MW380.21 g/mol
LogP-0.48
Rot. Bonds4

About CID 156641845

CID 156641845 (PubChem CID 156641845) has the molecular formula C5H7N4OPoS and a molecular weight of 380.21 g/mol.

Molecular Properties

Compound NameCID 156641845
PubChem CID156641845
Molecular FormulaC5H7N4OPoS
Molecular Weight380.21 g/mol
Exact Mass380.02
IUPAC Name—
SMILESO=C(C[Po])SCCn1cnnn1
InChIInChI=1S/C5H7N4OS.Po/c1-5(10)11-3-2-9-4-6-7-8-9;/h4H,1-3H2;
InChIKeyBSSZKGDQOOFUNI-UHFFFAOYSA-N
XLogP-0.48
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 156641845?
The IUPAC name of CID 156641845 (CID 156641845) is not available.
What is the SMILES notation for CID 156641845?
The canonical SMILES for CID 156641845 is O=C(C[Po])SCCn1cnnn1.
What is the InChIKey of CID 156641845?
The InChIKey is BSSZKGDQOOFUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N4OS.Po/c1-5(10)11-3-2-9-4-6-7-8-9;/h4H,1-3H2;.
What are the key properties of CID 156641845?
CID 156641845 has a molecular weight of 380.21 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156641845 is sourced from PubChem (CID 156641845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).