N-(2,6-difluorophenyl)methanethioamide

C7H5F2NS — CID 58279656

IUPACN-(2,6-difluorophenyl)methanethioamide
SMILESFc1cccc(F)c1NC=S
InChIInChI=1S/C7H5F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-4H,(H,10,11)
InChIKeyIEKZSOLFZIUTAZ-UHFFFAOYSA-N
MW173.19 g/mol
LogP2.33
Rot. Bonds2

About N-(2,6-difluorophenyl)methanethioamide

N-(2,6-difluorophenyl)methanethioamide (PubChem CID 58279656) has the molecular formula C7H5F2NS and a molecular weight of 173.19 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)methanethioamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)methanethioamide
PubChem CID58279656
Molecular FormulaC7H5F2NS
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC NameN-(2,6-difluorophenyl)methanethioamide
SMILESFc1cccc(F)c1NC=S
InChIInChI=1S/C7H5F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-4H,(H,10,11)
InChIKeyIEKZSOLFZIUTAZ-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)methanethioamide?
The IUPAC name of N-(2,6-difluorophenyl)methanethioamide (CID 58279656) is N-(2,6-difluorophenyl)methanethioamide.
What is the SMILES notation for N-(2,6-difluorophenyl)methanethioamide?
The canonical SMILES for N-(2,6-difluorophenyl)methanethioamide is Fc1cccc(F)c1NC=S.
What is the InChIKey of N-(2,6-difluorophenyl)methanethioamide?
The InChIKey is IEKZSOLFZIUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-4H,(H,10,11).
What are the key properties of N-(2,6-difluorophenyl)methanethioamide?
N-(2,6-difluorophenyl)methanethioamide has a molecular weight of 173.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)methanethioamide is sourced from PubChem (CID 58279656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).