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

C4H10N5NaS — CID 173411514

IUPACsodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione
SMILESCC(C)Nn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C4H9N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h3,6H,1-2H3,(H,5,8,10);;/q;+1;-1
InChIKeyVTQRKCFUENSAHU-UHFFFAOYSA-N
MW183.22 g/mol
LogP-2.60
Rot. Bonds2

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

sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione (PubChem CID 173411514) has the molecular formula C4H10N5NaS and a molecular weight of 183.22 g/mol. Its IUPAC name is sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione.

Molecular Properties

Compound Namesodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione
PubChem CID173411514
Molecular FormulaC4H10N5NaS
Molecular Weight183.22 g/mol
Exact Mass183.06
IUPAC Namesodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione
SMILESCC(C)Nn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C4H9N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h3,6H,1-2H3,(H,5,8,10);;/q;+1;-1
InChIKeyVTQRKCFUENSAHU-UHFFFAOYSA-N
XLogP-2.60
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(Propan-2-yl)amino]-1,2-dihydro-5H-tetrazole-5-thione
CID 13373735
1-isopropylamino-5-mercapto-1H-tetrazole sodium salt
CID 70453636
2-propan-2-yl-1H-tetrazole-5-thione
CID 123305860
Molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole
CID 156869133
2-Propan-2-yl-1,5-dihydrotetrazole
CID 156869134
5-Methyl-2-propan-2-yl-1,5-dihydrotetrazole
CID 169621011
sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride
CID 173411474
sodium 1-(propan-2-ylamino)-2H-tetrazole-5-thione
CID 20243967
sodium 1-(ethylamino)-2H-tetrazole-5-thione
CID 20243974

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione?
The IUPAC name of sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione (CID 173411514) is sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione.
What is the SMILES notation for sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione?
The canonical SMILES for sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione is CC(C)Nn1[nH]nnc1=S.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione?
The InChIKey is VTQRKCFUENSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S.Na.H/c1-3(2)6-9-4(10)5-7-8-9;;/h3,6H,1-2H3,(H,5,8,10);;/q;+1;-1.
What are the key properties of sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione?
sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione has a molecular weight of 183.22 g/mol, XLogP of -2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-(propan-2-ylamino)-2H-tetrazole-5-thione is sourced from PubChem (CID 173411514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).