N-(4-fluorophenyl)-N-methylcarbamothioyl chloride

C8H7ClFNS — CID 2759123

IUPACN-(4-fluorophenyl)-N-methylcarbamothioyl chloride
SMILESCN(C(=S)Cl)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFNS/c1-11(8(9)12)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyDTMFOGPAZSLXPA-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.79
Rot. Bonds1

About N-(4-fluorophenyl)-N-methylcarbamothioyl chloride

N-(4-fluorophenyl)-N-methylcarbamothioyl chloride (PubChem CID 2759123) has the molecular formula C8H7ClFNS and a molecular weight of 203.67 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methylcarbamothioyl chloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methylcarbamothioyl chloride
PubChem CID2759123
Molecular FormulaC8H7ClFNS
Molecular Weight203.67 g/mol
Exact Mass203.00
IUPAC NameN-(4-fluorophenyl)-N-methylcarbamothioyl chloride
SMILESCN(C(=S)Cl)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFNS/c1-11(8(9)12)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyDTMFOGPAZSLXPA-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methylcarbamothioyl chloride?
The IUPAC name of N-(4-fluorophenyl)-N-methylcarbamothioyl chloride (CID 2759123) is N-(4-fluorophenyl)-N-methylcarbamothioyl chloride.
What is the SMILES notation for N-(4-fluorophenyl)-N-methylcarbamothioyl chloride?
The canonical SMILES for N-(4-fluorophenyl)-N-methylcarbamothioyl chloride is CN(C(=S)Cl)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methylcarbamothioyl chloride?
The InChIKey is DTMFOGPAZSLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNS/c1-11(8(9)12)7-4-2-6(10)3-5-7/h2-5H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methylcarbamothioyl chloride?
N-(4-fluorophenyl)-N-methylcarbamothioyl chloride has a molecular weight of 203.67 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methylcarbamothioyl chloride is sourced from PubChem (CID 2759123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).