1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione

C3H7N5S2 — CID 88788913

IUPAC1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione
SMILESNC(S)Cn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S2/c4-2(9)1-8-3(10)5-6-7-8/h2,9H,1,4H2,(H,5,7,10)
InChIKeyXNIHGJIGFIKKQS-UHFFFAOYSA-N
MW177.26 g/mol
LogP-0.45
Rot. Bonds2

About 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione

1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione (PubChem CID 88788913) has the molecular formula C3H7N5S2 and a molecular weight of 177.26 g/mol. Its IUPAC name is 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione
PubChem CID88788913
Molecular FormulaC3H7N5S2
Molecular Weight177.26 g/mol
Exact Mass177.01
IUPAC Name1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione
SMILESNC(S)Cn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S2/c4-2(9)1-8-3(10)5-6-7-8/h2,9H,1,4H2,(H,5,7,10)
InChIKeyXNIHGJIGFIKKQS-UHFFFAOYSA-N
XLogP-0.45
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione (CID 88788913) is 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione is NC(S)Cn1[nH]nnc1=S.
What is the InChIKey of 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione?
The InChIKey is XNIHGJIGFIKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S2/c4-2(9)1-8-3(10)5-6-7-8/h2,9H,1,4H2,(H,5,7,10).
What are the key properties of 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione?
1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione has a molecular weight of 177.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-sulfanylethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 88788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).