1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione

C4H9N5S — CID 23459069

IUPAC1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione
SMILESCNC(C)n1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c1-3(5-2)9-4(10)6-7-8-9/h3,5H,1-2H3,(H,6,8,10)
InChIKeyZQSUJQMNZDCZSV-UHFFFAOYSA-N
MW159.22 g/mol
LogP0.07
Rot. Bonds2

About 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione

1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 23459069) has the molecular formula C4H9N5S and a molecular weight of 159.22 g/mol. Its IUPAC name is 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID23459069
Molecular FormulaC4H9N5S
Molecular Weight159.22 g/mol
Exact Mass159.06
IUPAC Name1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione
SMILESCNC(C)n1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c1-3(5-2)9-4(10)6-7-8-9/h3,5H,1-2H3,(H,6,8,10)
InChIKeyZQSUJQMNZDCZSV-UHFFFAOYSA-N
XLogP0.07
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.22
LogP ≤ 50.07
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

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CID 91723146
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1-(1-aminoethyl)-2H-tetrazole-5-thione
CID 20380202
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CID 20380208
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
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1-Amino-1,3-diethylthiourea
CID 55286386
1-(3-aminopropyl)-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950415
1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
CID 65440082
1-[2-(ethylamino)ethyl]-2H-tetrazole-5-thione
CID 65932873
1-Amino-3-ethyl-1-methylthiourea;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione (CID 23459069) is 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione is CNC(C)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is ZQSUJQMNZDCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S/c1-3(5-2)9-4(10)6-7-8-9/h3,5H,1-2H3,(H,6,8,10).
What are the key properties of 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione?
1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 159.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 23459069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).