1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide

C3H8BrN5S — CID 70606569

IUPAC1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide
SMILESBr.NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S.BrH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H
InChIKeyVBDWMOGPIDOOCO-UHFFFAOYSA-N
MW226.10 g/mol
LogP-0.13
Rot. Bonds2

About 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide

1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide (PubChem CID 70606569) has the molecular formula C3H8BrN5S and a molecular weight of 226.10 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide.

Molecular Properties

Compound Name1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide
PubChem CID70606569
Molecular FormulaC3H8BrN5S
Molecular Weight226.10 g/mol
Exact Mass224.97
IUPAC Name1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide
SMILESBr.NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S.BrH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H
InChIKeyVBDWMOGPIDOOCO-UHFFFAOYSA-N
XLogP-0.13
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 5-0.13
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-(2-Aminoethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 13135749
1-(2-aminoethyl)-1H-tetrazole-5-thiol hydrochloride
CID 19918068
1-Amino-1-(2-aminoethyl)thiourea
CID 20346883
1-(1-aminoethyl)-2H-tetrazole-5-thione;hydrobromide
CID 20380208
1-(1-Aminopropan-2-yl)-1,2-dihydro-5H-tetrazole-5-thione
CID 23324134
1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
CID 65440082
1-[2-(ethylamino)ethyl]-2H-tetrazole-5-thione
CID 65932873
1-(2,2-diaminoethyl)-2H-tetrazole-5-thione
CID 66712991
1-[2-(sulfanylamino)ethyl]-2H-tetrazole-5-thione
CID 88788912
2-(2,5-Dihydrotetrazol-1-yl)ethanamine
CID 152312181
1-[2,2-bis(methylamino)ethyl]-2H-tetrazole-5-thione
CID 170169414

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide?
The IUPAC name of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide (CID 70606569) is 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide.
What is the SMILES notation for 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide?
The canonical SMILES for 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide is Br.NCCn1[nH]nnc1=S.
What is the InChIKey of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide?
The InChIKey is VBDWMOGPIDOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S.BrH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H.
What are the key properties of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide?
1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide has a molecular weight of 226.10 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrobromide is sourced from PubChem (CID 70606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).