2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione

C6H8F2N4S — CID 131096948

IUPAC2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione
SMILESCC(F)(F)Cc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H8F2N4S/c1-6(7,8)2-3-10-4(9)12-5(13)11-3/h2H2,1H3,(H3,9,10,11,12,13)
InChIKeyZJWXTTWWQYQKIO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione (PubChem CID 131096948) has the molecular formula C6H8F2N4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione
PubChem CID131096948
Molecular FormulaC6H8F2N4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione
SMILESCC(F)(F)Cc1nc(=S)nc(N)[nH]1
InChIInChI=1S/C6H8F2N4S/c1-6(7,8)2-3-10-4(9)12-5(13)11-3/h2H2,1H3,(H3,9,10,11,12,13)
InChIKeyZJWXTTWWQYQKIO-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3032869
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CID 79006244
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione (CID 131096948) is 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione is CC(F)(F)Cc1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is ZJWXTTWWQYQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4S/c1-6(7,8)2-3-10-4(9)12-5(13)11-3/h2H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 206.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2-difluoropropyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 131096948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).