N-(2-fluorophenyl)-4-methylbenzenecarbothioamide

C14H12FNS — CID 10399619

IUPACN-(2-fluorophenyl)-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C14H12FNS/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyHAVPXUOHJINUBU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.92
Rot. Bonds2

About N-(2-fluorophenyl)-4-methylbenzenecarbothioamide

N-(2-fluorophenyl)-4-methylbenzenecarbothioamide (PubChem CID 10399619) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methylbenzenecarbothioamide
PubChem CID10399619
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC NameN-(2-fluorophenyl)-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C14H12FNS/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyHAVPXUOHJINUBU-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.92
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

N-(4-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399620
N-(2-bromo-4-methylphenyl)benzenecarbothioamide
CID 102044328
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280
4-tert-butyl-N-[(2-fluorophenyl)carbamothioyl]benzamide
CID 880254
1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364863
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
1-(2-fluorophenyl)-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 9468599
1-(2-fluorophenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea
CID 9468541
1-(2-bromophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364985
(2S,3S)-4-(2-fluoroanilino)-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoic acid
CID 41301283
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methylbenzenecarbothioamide?
The IUPAC name of N-(2-fluorophenyl)-4-methylbenzenecarbothioamide (CID 10399619) is N-(2-fluorophenyl)-4-methylbenzenecarbothioamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methylbenzenecarbothioamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methylbenzenecarbothioamide is Cc1ccc(C(=S)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-methylbenzenecarbothioamide?
The InChIKey is HAVPXUOHJINUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNS/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-4-methylbenzenecarbothioamide?
N-(2-fluorophenyl)-4-methylbenzenecarbothioamide has a molecular weight of 245.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methylbenzenecarbothioamide is sourced from PubChem (CID 10399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).