1-(cyclopropylmethyl)-2H-tetrazole-5-thione

C5H8N4S — CID 29069839

IUPAC1-(cyclopropylmethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CC1CC1
InChIInChI=1S/C5H8N4S/c10-5-6-7-8-9(5)3-4-1-2-4/h4H,1-3H2,(H,6,8,10)
InChIKeyAKWMJCJQKREFSX-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.75
Rot. Bonds2

About 1-(cyclopropylmethyl)-2H-tetrazole-5-thione

1-(cyclopropylmethyl)-2H-tetrazole-5-thione (PubChem CID 29069839) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2H-tetrazole-5-thione
PubChem CID29069839
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name1-(cyclopropylmethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CC1CC1
InChIInChI=1S/C5H8N4S/c10-5-6-7-8-9(5)3-4-1-2-4/h4H,1-3H2,(H,6,8,10)
InChIKeyAKWMJCJQKREFSX-UHFFFAOYSA-N
XLogP0.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
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-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 8902202
1-cyclopropyl-1H-1,2,3,4-tetrazole-5-thiol
CID 7131465
1-Butyl-5-mercaptotetrazole
CID 10931710
1-(4-fluorobutyl)-2H-tetrazole-5-thione
CID 130592980
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
1-(2,2-dimethylpropyl)-2H-tetrazole-5-thione
CID 22950475
1-(3-methylbutyl)-2H-tetrazole-5-thione
CID 29069867
1-(2-methylpropyl)-2H-tetrazole-5-thione;hydrochloride
CID 67900917
1-Amino-1-(cyclopropylmethyl)thiourea
CID 87250355
1-(Cyclopropylmethyl)-2,5-dihydrotetrazole
CID 175743164
1-(2,2-dimethylcyclopropyl)-2H-tetrazole-5-thione
CID 61893442
1-(2-methylcyclopropyl)-2H-tetrazole-5-thione
CID 62408230

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(cyclopropylmethyl)-2H-tetrazole-5-thione (CID 29069839) is 1-(cyclopropylmethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(cyclopropylmethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(cyclopropylmethyl)-2H-tetrazole-5-thione is S=c1nn[nH]n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2H-tetrazole-5-thione?
The InChIKey is AKWMJCJQKREFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c10-5-6-7-8-9(5)3-4-1-2-4/h4H,1-3H2,(H,6,8,10).
What are the key properties of 1-(cyclopropylmethyl)-2H-tetrazole-5-thione?
1-(cyclopropylmethyl)-2H-tetrazole-5-thione has a molecular weight of 156.21 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-(cyclopropylmethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 29069839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).