CID 173459381

C5H14N4NaS — CID 173459381

IUPAC—
SMILESCCN(CC)NC(=S)NN.[Na]
InChIInChI=1S/C5H14N4S.Na/c1-3-9(4-2)8-5(10)7-6;/h3-4,6H2,1-2H3,(H2,7,8,10);
InChIKeyVVMMLLGBRFKPGP-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.80
Rot. Bonds3

About CID 173459381

CID 173459381 (PubChem CID 173459381) has the molecular formula C5H14N4NaS and a molecular weight of 185.25 g/mol.

Molecular Properties

Compound NameCID 173459381
PubChem CID173459381
Molecular FormulaC5H14N4NaS
Molecular Weight185.25 g/mol
Exact Mass185.08
IUPAC Name—
SMILESCCN(CC)NC(=S)NN.[Na]
InChIInChI=1S/C5H14N4S.Na/c1-3-9(4-2)8-5(10)7-6;/h3-4,6H2,1-2H3,(H2,7,8,10);
InChIKeyVVMMLLGBRFKPGP-UHFFFAOYSA-N
XLogP-0.80
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173459381?
The IUPAC name of CID 173459381 (CID 173459381) is not available.
What is the SMILES notation for CID 173459381?
The canonical SMILES for CID 173459381 is CCN(CC)NC(=S)NN.[Na].
What is the InChIKey of CID 173459381?
The InChIKey is VVMMLLGBRFKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S.Na/c1-3-9(4-2)8-5(10)7-6;/h3-4,6H2,1-2H3,(H2,7,8,10);.
What are the key properties of CID 173459381?
CID 173459381 has a molecular weight of 185.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173459381 is sourced from PubChem (CID 173459381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).