sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione

C4H8N5NaS — CID 173411476

IUPACsodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
SMILESCC(C)=Nn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C4H7N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h1-2H3,(H,5,8,10);;/q;+1;-1
InChIKeyWNVPXRMODBISSK-UHFFFAOYSA-N
MW181.20 g/mol
LogP-2.30
Rot. Bonds1

About sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione

sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione (PubChem CID 173411476) has the molecular formula C4H8N5NaS and a molecular weight of 181.20 g/mol. Its IUPAC name is sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione.

Molecular Properties

Compound Namesodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
PubChem CID173411476
Molecular FormulaC4H8N5NaS
Molecular Weight181.20 g/mol
Exact Mass181.04
IUPAC Namesodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione
SMILESCC(C)=Nn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C4H7N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h1-2H3,(H,5,8,10);;/q;+1;-1
InChIKeyWNVPXRMODBISSK-UHFFFAOYSA-N
XLogP-2.30
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-2.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The IUPAC name of sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione (CID 173411476) is sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione.
What is the SMILES notation for sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The canonical SMILES for sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione is CC(C)=Nn1[nH]nnc1=S.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
The InChIKey is WNVPXRMODBISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h1-2H3,(H,5,8,10);;/q;+1;-1.
What are the key properties of sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione?
sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione has a molecular weight of 181.20 g/mol, XLogP of -2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-(propan-2-ylideneamino)-2H-tetrazole-5-thione is sourced from PubChem (CID 173411476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).