1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride

C5H12ClN5S — CID 22152582

IUPAC1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride
SMILESCN(C)CCn1[nH]nnc1=S.Cl
InChIInChI=1S/C5H11N5S.ClH/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H
InChIKeyAANKSJVRHMDDHY-UHFFFAOYSA-N
MW209.71 g/mol
LogP0.32
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride

1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride (PubChem CID 22152582) has the molecular formula C5H12ClN5S and a molecular weight of 209.71 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride
PubChem CID22152582
Molecular FormulaC5H12ClN5S
Molecular Weight209.71 g/mol
Exact Mass209.05
IUPAC Name1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride
SMILESCN(C)CCn1[nH]nnc1=S.Cl
InChIInChI=1S/C5H11N5S.ClH/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H
InChIKeyAANKSJVRHMDDHY-UHFFFAOYSA-N
XLogP0.32
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.71
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride (CID 22152582) is 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride is CN(C)CCn1[nH]nnc1=S.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride?
The InChIKey is AANKSJVRHMDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S.ClH/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride?
1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride has a molecular weight of 209.71 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione;hydrochloride is sourced from PubChem (CID 22152582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).