sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)

C12H17N4NaO2S2 — CID 173426347

IUPACsodium;bis(carbamothioic S-acid);hydride;bis(pyridine)
SMILESNC(=O)S.NC(=O)S.[H-].[Na+].c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.2CH3NOS.Na.H/c2*1-2-4-6-5-3-1;2*2-1(3)4;;/h2*1-5H;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyPWQIEINOFCKIQV-UHFFFAOYSA-N
MW336.42 g/mol
LogP-0.73
Rot. Bonds

About sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)

sodium;bis(carbamothioic S-acid);hydride;bis(pyridine) (PubChem CID 173426347) has the molecular formula C12H17N4NaO2S2 and a molecular weight of 336.42 g/mol. Its IUPAC name is sodium;bis(carbamothioic S-acid);hydride;bis(pyridine).

Molecular Properties

Compound Namesodium;bis(carbamothioic S-acid);hydride;bis(pyridine)
PubChem CID173426347
Molecular FormulaC12H17N4NaO2S2
Molecular Weight336.42 g/mol
Exact Mass336.07
IUPAC Namesodium;bis(carbamothioic S-acid);hydride;bis(pyridine)
SMILESNC(=O)S.NC(=O)S.[H-].[Na+].c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.2CH3NOS.Na.H/c2*1-2-4-6-5-3-1;2*2-1(3)4;;/h2*1-5H;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyPWQIEINOFCKIQV-UHFFFAOYSA-N
XLogP-0.73
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)?
The IUPAC name of sodium;bis(carbamothioic S-acid);hydride;bis(pyridine) (CID 173426347) is sodium;bis(carbamothioic S-acid);hydride;bis(pyridine).
What is the SMILES notation for sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)?
The canonical SMILES for sodium;bis(carbamothioic S-acid);hydride;bis(pyridine) is NC(=O)S.NC(=O)S.[H-].[Na+].c1ccncc1.c1ccncc1.
What is the InChIKey of sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)?
The InChIKey is PWQIEINOFCKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2CH3NOS.Na.H/c2*1-2-4-6-5-3-1;2*2-1(3)4;;/h2*1-5H;2*(H3,2,3,4);;/q;;;;+1;-1.
What are the key properties of sodium;bis(carbamothioic S-acid);hydride;bis(pyridine)?
sodium;bis(carbamothioic S-acid);hydride;bis(pyridine) has a molecular weight of 336.42 g/mol, XLogP of -0.73, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(carbamothioic S-acid);hydride;bis(pyridine) is sourced from PubChem (CID 173426347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).