2-carbamothioyl-3,4-difluorobenzamide

C8H6F2N2OS — CID 174710522

IUPAC2-carbamothioyl-3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1C(N)=S
InChIInChI=1S/C8H6F2N2OS/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyFTINBXVHZLYOBO-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.70
Rot. Bonds2

About 2-carbamothioyl-3,4-difluorobenzamide

2-carbamothioyl-3,4-difluorobenzamide (PubChem CID 174710522) has the molecular formula C8H6F2N2OS and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-carbamothioyl-3,4-difluorobenzamide.

Molecular Properties

Compound Name2-carbamothioyl-3,4-difluorobenzamide
PubChem CID174710522
Molecular FormulaC8H6F2N2OS
Molecular Weight216.21 g/mol
Exact Mass216.02
IUPAC Name2-carbamothioyl-3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1C(N)=S
InChIInChI=1S/C8H6F2N2OS/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyFTINBXVHZLYOBO-UHFFFAOYSA-N
XLogP0.70
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-cyano-3,4-difluorobenzamide
CID 131009208
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938
2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
CID 89422005
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
3-acetamido-2,4-difluorobenzamide
CID 154632543
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2-cyclobutyloxy-3,4-difluorobenzamide
CID 21191364
benzamide;2,3,4-trifluorobenzoic acid
CID 158159463
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-3,4-difluorobenzamide?
The IUPAC name of 2-carbamothioyl-3,4-difluorobenzamide (CID 174710522) is 2-carbamothioyl-3,4-difluorobenzamide.
What is the SMILES notation for 2-carbamothioyl-3,4-difluorobenzamide?
The canonical SMILES for 2-carbamothioyl-3,4-difluorobenzamide is NC(=O)c1ccc(F)c(F)c1C(N)=S.
What is the InChIKey of 2-carbamothioyl-3,4-difluorobenzamide?
The InChIKey is FTINBXVHZLYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2OS/c9-4-2-1-3(7(11)13)5(6(4)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14).
What are the key properties of 2-carbamothioyl-3,4-difluorobenzamide?
2-carbamothioyl-3,4-difluorobenzamide has a molecular weight of 216.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-3,4-difluorobenzamide is sourced from PubChem (CID 174710522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).