methyl 2-chloro-6-fluorobenzenecarboximidothioate

C8H7ClFNS — CID 11171711

IUPACmethyl 2-chloro-6-fluorobenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFNS/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,11H,1H3/b11-8-
InChIKeyQOXXOGLHDZAAHL-FLIBITNWSA-N
MW203.67 g/mol
LogP3.17
Rot. Bonds1

About methyl 2-chloro-6-fluorobenzenecarboximidothioate

methyl 2-chloro-6-fluorobenzenecarboximidothioate (PubChem CID 11171711) has the molecular formula C8H7ClFNS and a molecular weight of 203.67 g/mol. Its IUPAC name is methyl 2-chloro-6-fluorobenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 2-chloro-6-fluorobenzenecarboximidothioate
PubChem CID11171711
Molecular FormulaC8H7ClFNS
Molecular Weight203.67 g/mol
Exact Mass203.00
IUPAC Namemethyl 2-chloro-6-fluorobenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFNS/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,11H,1H3/b11-8-
InChIKeyQOXXOGLHDZAAHL-FLIBITNWSA-N
XLogP3.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-fluorobenzenecarboximidothioate?
The IUPAC name of methyl 2-chloro-6-fluorobenzenecarboximidothioate (CID 11171711) is methyl 2-chloro-6-fluorobenzenecarboximidothioate.
What is the SMILES notation for methyl 2-chloro-6-fluorobenzenecarboximidothioate?
The canonical SMILES for methyl 2-chloro-6-fluorobenzenecarboximidothioate is [H]/N=C(\SC)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-chloro-6-fluorobenzenecarboximidothioate?
The InChIKey is QOXXOGLHDZAAHL-FLIBITNWSA-N. The full InChI is InChI=1S/C8H7ClFNS/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,11H,1H3/b11-8-.
What are the key properties of methyl 2-chloro-6-fluorobenzenecarboximidothioate?
methyl 2-chloro-6-fluorobenzenecarboximidothioate has a molecular weight of 203.67 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-fluorobenzenecarboximidothioate is sourced from PubChem (CID 11171711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).