1-propyl-2H-tetrazole-5-thione

C4H8N4S — CID 8831747

IUPAC1-propyl-2H-tetrazole-5-thione
SMILESCCCn1[nH]nnc1=S
InChIInChI=1S/C4H8N4S/c1-2-3-8-4(9)5-6-7-8/h2-3H2,1H3,(H,5,7,9)
InChIKeyBVVDPRQMYYDZHL-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.75
Rot. Bonds2

About 1-propyl-2H-tetrazole-5-thione

1-propyl-2H-tetrazole-5-thione (PubChem CID 8831747) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-propyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-propyl-2H-tetrazole-5-thione
PubChem CID8831747
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-propyl-2H-tetrazole-5-thione
SMILESCCCn1[nH]nnc1=S
InChIInChI=1S/C4H8N4S/c1-2-3-8-4(9)5-6-7-8/h2-3H2,1H3,(H,5,7,9)
InChIKeyBVVDPRQMYYDZHL-UHFFFAOYSA-N
XLogP0.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-(2-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 8902202
1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione
CID 3034248
1,2-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-Butyl-5-mercaptotetrazole
CID 10931710
Iodobutyl-sulfanyltetrazole
CID 132427253
1-(4-fluorobutyl)-2H-tetrazole-5-thione
CID 130592980
1-(4,4-difluorobutan-2-yl)-2H-tetrazole-5-thione
CID 130677773
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-(3-aminopropyl)-2H-tetrazole-5-thione
CID 15333026
1-Hexyl-1,2-dihydro-5H-tetrazole-5-thione
CID 15765993
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 18317168

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2H-tetrazole-5-thione?
The IUPAC name of 1-propyl-2H-tetrazole-5-thione (CID 8831747) is 1-propyl-2H-tetrazole-5-thione.
What is the SMILES notation for 1-propyl-2H-tetrazole-5-thione?
The canonical SMILES for 1-propyl-2H-tetrazole-5-thione is CCCn1[nH]nnc1=S.
What is the InChIKey of 1-propyl-2H-tetrazole-5-thione?
The InChIKey is BVVDPRQMYYDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-2-3-8-4(9)5-6-7-8/h2-3H2,1H3,(H,5,7,9).
What are the key properties of 1-propyl-2H-tetrazole-5-thione?
1-propyl-2H-tetrazole-5-thione has a molecular weight of 144.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-tetrazole-5-thione is sourced from PubChem (CID 8831747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).