1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione

C10H10F2N4S — CID 938288

IUPAC1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione
SMILESCc1ccc(C)c(-n2nnn(C(F)F)c2=S)c1
InChIInChI=1S/C10H10F2N4S/c1-6-3-4-7(2)8(5-6)15-10(17)16(9(11)12)14-13-15/h3-5,9H,1-2H3
InChIKeyHEGJAZZEYUFBOP-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.81
Rot. Bonds2

About 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione

1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione (PubChem CID 938288) has the molecular formula C10H10F2N4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione
PubChem CID938288
Molecular FormulaC10H10F2N4S
Molecular Weight256.28 g/mol
Exact Mass256.06
IUPAC Name1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione
SMILESCc1ccc(C)c(-n2nnn(C(F)F)c2=S)c1
InChIInChI=1S/C10H10F2N4S/c1-6-3-4-7(2)8(5-6)15-10(17)16(9(11)12)14-13-15/h3-5,9H,1-2H3
InChIKeyHEGJAZZEYUFBOP-UHFFFAOYSA-N
XLogP2.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-Methyl-5-(trifluoromethyl)phenyl]thiourea
CID 1481194
1-(difluoromethyl)-4-phenyl-1H-tetrazole-5(4H)-thione
CID 5196942
1-(4-fluoro-3-methylphenyl)-2H-tetrazole-5-thione
CID 2731638
1-Phenyl-4-[2-(trifluoromethyl)phenyl]tetrazole-5-thione
CID 49798405
1-[2-(Trifluoromethyl)phenyl]-1h-tetrazole-5-thiol
CID 19431252
1-m-Tolyl-1H-tetrazole-5-thiol
CID 684839
1-(2,3-dimethylphenyl)-1H-tetrazole-5-thiol
CID 2474287
1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione
CID 935999
1-[4-(trifluoromethyl)phenyl]-1H-tetrazole-5-thiol
CID 29069907
1-(Difluoromethyl)-4-(2,4-dimethylphenyl)tetrazole-5-thione
CID 4612291
1-[3-(trifluoromethyl)phenyl]-2H-tetrazole-5-thione
CID 15422166
1-[2,5-Bis(trifluoromethyl)phenyl]-1-propylthiourea
CID 18322272

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione?
The IUPAC name of 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione (CID 938288) is 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione.
What is the SMILES notation for 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione?
The canonical SMILES for 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione is Cc1ccc(C)c(-n2nnn(C(F)F)c2=S)c1.
What is the InChIKey of 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione?
The InChIKey is HEGJAZZEYUFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4S/c1-6-3-4-7(2)8(5-6)15-10(17)16(9(11)12)14-13-15/h3-5,9H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione?
1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione has a molecular weight of 256.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(2,5-dimethylphenyl)tetrazole-5-thione is sourced from PubChem (CID 938288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).