CID 143962463

C13H15N4PS3 — CID 143962463

IUPAC—
SMILESNP.Nc1ccc2nc(-c3ccc(N)c(S)c3S)sc2c1
InChIInChI=1S/C13H11N3S3.H4NP/c14-6-1-4-9-10(5-6)19-13(16-9)7-2-3-8(15)12(18)11(7)17;1-2/h1-5,17-18H,14-15H2;1-2H2
InChIKeyGTYWVWVBPJUBCX-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.44
Rot. Bonds1

About CID 143962463

CID 143962463 (PubChem CID 143962463) has the molecular formula C13H15N4PS3 and a molecular weight of 354.47 g/mol.

Molecular Properties

Compound NameCID 143962463
PubChem CID143962463
Molecular FormulaC13H15N4PS3
Molecular Weight354.47 g/mol
Exact Mass354.02
IUPAC Name—
SMILESNP.Nc1ccc2nc(-c3ccc(N)c(S)c3S)sc2c1
InChIInChI=1S/C13H11N3S3.H4NP/c14-6-1-4-9-10(5-6)19-13(16-9)7-2-3-8(15)12(18)11(7)17;1-2/h1-5,17-18H,14-15H2;1-2H2
InChIKeyGTYWVWVBPJUBCX-UHFFFAOYSA-N
XLogP3.44
TPSA90.95 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143962463?
The IUPAC name of CID 143962463 (CID 143962463) is not available.
What is the SMILES notation for CID 143962463?
The canonical SMILES for CID 143962463 is NP.Nc1ccc2nc(-c3ccc(N)c(S)c3S)sc2c1.
What is the InChIKey of CID 143962463?
The InChIKey is GTYWVWVBPJUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S3.H4NP/c14-6-1-4-9-10(5-6)19-13(16-9)7-2-3-8(15)12(18)11(7)17;1-2/h1-5,17-18H,14-15H2;1-2H2.
What are the key properties of CID 143962463?
CID 143962463 has a molecular weight of 354.47 g/mol, XLogP of 3.44, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143962463 is sourced from PubChem (CID 143962463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).