N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide

C9H10FNS — CID 145231296

IUPACN-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
SMILESCc1ccc(F)cc1CNC=S
InChIInChI=1S/C9H10FNS/c1-7-2-3-9(10)4-8(7)5-11-6-12/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyHUJRJRBHWJUESP-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide

N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide (PubChem CID 145231296) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
PubChem CID145231296
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
SMILESCc1ccc(F)cc1CNC=S
InChIInChI=1S/C9H10FNS/c1-7-2-3-9(10)4-8(7)5-11-6-12/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyHUJRJRBHWJUESP-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
3-[(5-fluoro-2-methylphenyl)methylamino]propanenitrile
CID 107168016
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
1-[(5-fluoro-2-methylphenyl)methyl]-2-phenylhydrazine
CID 169384413
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 105371326
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide (CID 145231296) is N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide is Cc1ccc(F)cc1CNC=S.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide?
The InChIKey is HUJRJRBHWJUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS/c1-7-2-3-9(10)4-8(7)5-11-6-12/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide?
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide has a molecular weight of 183.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide is sourced from PubChem (CID 145231296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).