1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione

C6H8F2N4S — CID 164651920

IUPAC1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione
SMILESFC(F)C1(Cn2[nH]nnc2=S)CC1
InChIInChI=1S/C6H8F2N4S/c7-4(8)6(1-2-6)3-12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13)
InChIKeyUFLMHQYMPZLTSZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.38
Rot. Bonds3

About 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione

1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione (PubChem CID 164651920) has the molecular formula C6H8F2N4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione
PubChem CID164651920
Molecular FormulaC6H8F2N4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione
SMILESFC(F)C1(Cn2[nH]nnc2=S)CC1
InChIInChI=1S/C6H8F2N4S/c7-4(8)6(1-2-6)3-12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13)
InChIKeyUFLMHQYMPZLTSZ-UHFFFAOYSA-N
XLogP1.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.38
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-(4,4,4-trifluorobutyl)-2H-tetrazole-5-thione
CID 115520988
1-[(1-methylcyclopropyl)methyl]-2H-tetrazole-5-thione
CID 105703036

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione (CID 164651920) is 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione is FC(F)C1(Cn2[nH]nnc2=S)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione?
The InChIKey is UFLMHQYMPZLTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4S/c7-4(8)6(1-2-6)3-12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13).
What are the key properties of 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione?
1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione has a molecular weight of 206.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)cyclopropyl]methyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 164651920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).